Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1068381 | 0.84 | CYP1A2 (0.48) | CYP1A2ALDH1A1ESR2AKR1C2AKR1C1 | |
| SCHEMBL1069867 | 0.84 | ALDH1A1 (0.47) | CYP1A2ALDH1A1AKR1C2AKR1C1SMN1; SMN2 | |
| SCHEMBL27522805 | 0.82 | CYP1A2 (0.46) | CYP1A2ALDH1A1ESR2AKR1C2AKR1C1 | |
| SCHEMBL4762846 | 0.79 | PTPRC (0.40) | ALDH1A1SMN1; SMN2HPGDL3MBTL1PDK2 | |
| SCHEMBL6770612 | 0.79 | CYP2A6 (0.47) | ALDH1A1MEN1KMT2ASMN1; SMN2TDP1 | |
| SCHEMBL15636974 | 0.76 | TTR (0.35) | L3MBTL1 | |
| SCHEMBL1066310 | 0.75 | ALDH1A1 (0.38) | ALDH1A1AKR1C2AKR1C1MEN1KMT2A | |
| SCHEMBL1068489 | 0.75 | CYP1A2 (0.39) | CYP1A2ALDH1A1ESR2AKR1C2AKR1C1 | |
| SCHEMBL4928553 | 0.72 | KIF11 (0.42) | ALDH1A1AKR1C2AKR1C1CRHBPCRHR2 | |
| SCHEMBL19953076 | 0.71 | AHR (0.50) | CYP1A2ALDH1A1SMN1; SMN2CYP2A6KDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011006886-A2 | AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV | BASF SE (DE) | 2011-01-20 | — | — | WO | disclosed |
| US-20080318962-A1 | Fungicides Based on Nitrogen-Containing Heterocycles | SYNGENTA CROP PROTECTION, INC. (US) | 2008-12-25 | — | — | US | disclosed |
| EP-1771423-A1 | FUNGICIDES BASED ON NITROGEN-CONTAINING HETEROCYCLES | Syngeta Participations AG (CH) | 2007-04-11 | — | — | EP | disclosed |
| WO-2005123698-A1 | FUNGICIDES BASED ON NITROGEN-CONTAINING HETEROCYCLES | SYNGENTA PARTICIPATIONS AG (CH) | 2005-12-29 | — | — | WO | disclosed |
| EP-1144381-A2 | SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES | MERCK PATENT GmbH (DE) | 2001-10-17 | — | — | EP | disclosed |
| EP-1133475-A1 | SUBSTITUTED BENZO DE]ISOQUINOLINE-1,3-DIONES | MERCK PATENT GmbH (DE) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000032577-A2 | SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES | MERCK PATENT GMBH (DE) | 2000-06-08 | — | — | WO | disclosed |
| WO-2000031039-A1 | SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES | MERCK PATENT GMBH (DE) | 2000-06-02 | — | — | WO | 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 (1 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-20080318962-A1 | Fungicides Based on Nitrogen-Containing Heterocycles | DDT, CYP4X1, CBR1 | CYP1A2 21/4885ALDH1A1 2559/4885ESR2 1563/4885 |
“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.