Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.50 |
| ▸ | RAD52 | P43351 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9033967 | 0.97 | ACHE (0.59) | ACHEALDH1A1KMT2AMEN1GAA | |
| SCHEMBL4758225 | 0.86 | NR1H2 (0.64) | ACHEALDH1A1KMT2AMEN1GAA | |
| SCHEMBL4937802 | 0.86 | GAA (0.60) | ACHEALDH1A1KMT2AGAAMAPT | |
| SCHEMBL4262170 | 0.85 | CYP2A13 (0.61) | ACHEKMT2AGAAMAPTNR1H2 | |
| SCHEMBL29182981 | 0.84 | ACHE (0.63) | ACHEALDH1A1KMT2AMEN1GAA | |
| SCHEMBL27824915 | 0.82 | NR1H2 (0.46) | ACHEALDH1A1KMT2AMEN1GAA | |
| SCHEMBL6347632 | 0.81 | ACHE (0.64) | ACHEALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL6796136 | 0.81 | GRIN2B (0.58) | ALDH1A1KMT2AMAPTMAPK1SMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL6142717 | 0.81 | HRH3 (0.47) | ACHEALDH1A1KMT2AMEN1GAA | |
| Hydrochloric Acid SCHEMBL5929372 | 0.80 | GAA (0.49) | ACHEALDH1A1KMT2AMEN1GAA |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170369446-A1 | MONOCYCLIC HETEROARYL COMPOUNDS | ARIAD PHARMA INC (US) | 2017-12-28 | — | — | US | disclosed |
| US-20160368917-A1 | Bicyclic Heteroaryl Compounds | ARIAD PHARMA INC (US) | 2016-12-22 | — | — | US | disclosed |
| US-9278971-B2 | Substituted acetylenic pyrazolo[1,5-a]pyrimidines as kinase inhibitors | ARIAD PHARMACEUTICALS, INC. (US) | 2016-03-08 | — | — | US | disclosed |
| US-9090561-B2 | Acetylenic heteroaryl compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-9029533-B2 | Substituted acetylenic imidazo[1,2-A]pyridazines as kinase inhibitors | ARIAD PHARMACEUTICALS, INC. (US) | 2015-05-12 | — | — | US | disclosed |
| US-20150105377-A1 | Methods and Compositions for RAF Kinase Mediated Diseases | ARIAD PHARMACEUTICALS, INC. | 2015-04-16 | — | — | US | disclosed |
| US-20140288082-A1 | Bicyclic Heteroaryl Compounds | TAKEDA PHARMACEUTICALS U.S.A., INC. | 2014-09-25 | — | — | US | disclosed |
| US-8778942-B2 | Substituted acetylenic imidazo[1,2-A]pyrazine compounds as kinase inhibitors | ARIAD PHARMACEUTICALS, INC. (US) | 2014-07-15 | — | — | US | disclosed |
| US-20140066434-A1 | Methods and Compositions for Treating Parkinson's Disease | ARIAD PHARMACEUTICALS, INC. (US) | 2014-03-06 | — | — | US | disclosed |
| US-20140045826-A1 | METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES | ARIAD PHARMACEUTICALS, INC. (US) | 2014-02-13 | — | — | US | disclosed |
| US-20130231337-A1 | Bicyclic Heteroaryl Compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2013-09-05 | — | — | US | disclosed |
| US-20130196979-A1 | Bicyclic Heteroaryl Compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2013-08-01 | — | — | US | disclosed |
| US-8470851-B2 | Substituted acetylenic imidazo[1,2-A]pyridine compounds as kinase inhibitors | ARIAD PHARMACEUTICALS, INC. (US) | 2013-06-25 | — | — | US | disclosed |
| US-8461167-B2 | Acetylenic heteroaryl compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | disclosed |
| US-20130018046-A1 | Acetylenic Heteroaryl Compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2013-01-17 | — | — | US | disclosed |
| US-20130005738-A1 | Monocyclic Heteroaryl Compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2013-01-03 | — | — | US | disclosed |
| US-20120135986-A1 | Bicyclic Heteroaryl Compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2012-05-31 | — | — | 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 (11 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-20130005738-A1 | Monocyclic Heteroaryl Compounds | CYP3A43, CYP2F1, CYP11B2 | ACHE 1520/4885ALDH1A1 656/4885KMT2A 1602/4885 |
| US-20140066434-A1 | Methods and Compositions for Treating Parkinson's Disease | PARK7, SNCA, HTT | ACHE 5/4885ALDH1A1 851/4885KMT2A 3282/4885 |
| US-20160368917-A1 | Bicyclic Heteroaryl Compounds | CYP3A43, CYP11B2, CYP2F1 | ACHE 1399/4885ALDH1A1 636/4885KMT2A 2113/4885 |
| US-20130196979-A1 | Bicyclic Heteroaryl Compounds | CYP3A43, CYP11B2, CYP2F1 | ACHE 1399/4885ALDH1A1 636/4885KMT2A 2113/4885 |
| US-20130018046-A1 | Acetylenic Heteroaryl Compounds | NAT1, AADAC, ACACA | ACHE 269/4885ALDH1A1 148/4885KMT2A 1885/4885 |
| US-20150105377-A1 | Methods and Compositions for RAF Kinase Mediated Diseases | BRAF, RAF1, NRAS | ACHE 4834/4885ALDH1A1 2174/4885KMT2A 1341/4885 |
| US-20140045826-A1 | METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES | HTT, MAPT, SNCA | ACHE 13/4885ALDH1A1 1162/4885KMT2A 2053/4885 |
| US-20140288082-A1 | Bicyclic Heteroaryl Compounds | CYP3A43, CYP11B2, CYP2F1 | ACHE 1399/4885ALDH1A1 636/4885KMT2A 2113/4885 |
| US-20170369446-A1 | MONOCYCLIC HETEROARYL COMPOUNDS | CYP3A43, CYP2F1, CYP11B2 | ACHE 1520/4885ALDH1A1 656/4885KMT2A 1602/4885 |
| US-20130231337-A1 | Bicyclic Heteroaryl Compounds | CYP3A43, CYP11B2, CYP2F1 | ACHE 1399/4885ALDH1A1 636/4885KMT2A 2113/4885 |
| US-20120135986-A1 | Bicyclic Heteroaryl Compounds | CYP3A43, CYP11B2, CYP2F1 | ACHE 1399/4885ALDH1A1 636/4885KMT2A 2113/4885 |
“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.