Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 3/20 | 0.43 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2616327 | 0.77 | MAOA (0.48) | BRD4CREBBPMAOAMAOBGAA | |
| SCHEMBL8312132 | 0.77 | GAA (0.38) | BRD4CREBBPGAATSHRKMT2A | |
| SCHEMBL25650200 | 0.77 | MAOA (0.39) | MAOAMAOBGAANPSR1TSHR | |
| SCHEMBL22401867 | 0.77 | MAOA (0.39) | BRD4CREBBPMAOAMAOBGAA | |
| SCHEMBL18107777 | 0.75 | BRD4 (0.47) | BRD4TSHRHSD17B3PARP1KMT2A | |
| SCHEMBL20952967 | 0.75 | RIPK1 (0.38) | BRD4CREBBPGAACYP3A4MAPT | |
| SCHEMBL29275489 | 0.75 | BRD4 (0.51) | BRD4TSHRHSD17B3KMT2AMEN1 | |
| SCHEMBL28620084 | 0.75 | MIF (0.54) | MAOAMAOBKMT2AALDH1A1MEN1 | |
| SCHEMBL2784147 | 0.74 | NPC1 (0.51) | MAOAMAOBGAATSHRKMT2A | |
| SCHEMBL904862 | 0.74 | HSD17B3 (0.44) | MAOAMAOBTSHRHSD17B3KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3239137-B1 | (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION | DU PONT (US) | 2019-02-13 | — | — | EP | disclosed |
| US-9920030-B2 | Fungicidal azocyclic amides | E I DU PONT DE NEMOURS AND COMPANY (US) | 2018-03-20 | — | — | US | disclosed |
| US-9920030-B2 | Fungicidal azocyclic amides | E I DU PONT DE NEMOURS AND COMPANY (US) | 2018-03-20 | — | — | US | disclosed |
| EP-3239145-A1 | 1-[2-[3,5-SUBSTITUTED-1H-PYRAZOL-1-YL]ACETYL]-4-PIPERIDINE-CARBONITRILE AND -CARBOTHIAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF FUNGICIDES FOR CROP PROTECTION | E. I. du Pont de Nemours and Company (US) | 2017-11-01 | — | — | EP | disclosed |
| EP-2712616-B1 | Intermediates for the preparation of 1-(acetyl)-piperidine and 1-(acetyl)-piperazine derivatives as fungicides for use in plant protection | DU PONT (US) | 2017-04-19 | — | — | EP | disclosed |
| US-9604962-B2 | Fungicidal azocyclic amides | E I DU PONT DE NEMOURS AND COMPANY (US) | 2017-03-28 | — | — | US | disclosed |
| US-9604962-B2 | Fungicidal azocyclic amides | E I DU PONT DE NEMOURS AND COMPANY (US) | 2017-03-28 | — | — | US | disclosed |
| US-20160280697-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC | 2016-09-29 | — | — | US | disclosed |
| US-20160280697-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC | 2016-09-29 | — | — | US | disclosed |
| US-9328077-B2 | Bicyclic PKM2 activators | AGIOS PHARMACEUTICALS, INC (US) | 2016-05-03 | — | — | US | disclosed |
| US-20130030002-A1 | FUNGICIDAL OXIMES AND HYDRAZONES | E I DUPONT DE NEMOURS AND COMPANY (US) | 2013-01-31 | — | — | US | disclosed |
| US-8349870-B2 | Fungicidal hetercyclic compounds | E I DU PONT DE NEMOURS AND COMPANY (US) | 2013-01-08 | — | — | US | disclosed |
| US-20120309752-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E I DU PONT DE NEMOURS AND COMPANY (US) | 2012-12-06 | — | — | US | disclosed |
| WO-2012151440-A1 | PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA | AGIOS PHARMACEUTICALS, INC. (US) | 2012-11-08 | — | — | WO | disclosed |
| WO-2012088314-A1 | BICYCLIC PKM2 ACTIVATORS | AGIOS PHARMACEUTICALS, INC. (US) | 2012-06-28 | — | — | WO | disclosed |
| US-20110224258-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (DE) | 2011-09-15 | — | — | US | disclosed |
| US-20100292275-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-11-18 | — | — | US | disclosed |
| US-20100286147-A1 | FUNGICIDAL AMIDES | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2010-11-11 | — | — | US | disclosed |
| US-20100240619-A1 | FUNGICIDAL MIXTURES | CORTEVA AGRISCIENCE LLC | 2010-09-23 | — | — | US | disclosed |
| US-20090156592-A1 | Fungicidal Azocyclic Amides | E.I. DU PONT DE NEMOURS AND COMPANY (DE) | 2009-06-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160280697-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE | PDK1, PDK2, PCK1 | BRD4 582/4885CREBBP 229/4885MAOA 4537/4885 |
| US-20100286147-A1 | FUNGICIDAL AMIDES | NAT1, NOX1, CBR1 | BRD4 3950/4885CREBBP 4861/4885MAOA 379/4885 |
| US-20110224258-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | NOX1, XDH, CBR1 | BRD4 4391/4885CREBBP 4876/4885MAOA 77/4885 |
| US-20100292275-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | CYP1B1, CBR1, NOX1 | BRD4 3815/4885CREBBP 4855/4885MAOA 180/4885 |
| US-20120309752-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | CYP1B1, NOX3, CYP1A1 | BRD4 4086/4885CREBBP 4830/4885MAOA 112/4885 |
| US-20100240619-A1 | FUNGICIDAL MIXTURES | CYP1B1, CYP1A1, NOX1 | BRD4 4546/4885CREBBP 4875/4885MAOA 248/4885 |
| US-20090156592-A1 | Fungicidal Azocyclic Amides | ARG1, NAT1, CHRM1 | BRD4 4190/4885CREBBP 4856/4885MAOA 287/4885 |
| US-20130030002-A1 | FUNGICIDAL OXIMES AND HYDRAZONES | NOX1, QSOX1, XDH | BRD4 4709/4885CREBBP 4809/4885MAOA 114/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.