Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.35 |
| ▸ | CHAT | P28329 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.30 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25445732 | 0.86 | CA1 (0.44) | HTTCA1CA2BCHEACHE | |
| SCHEMBL59702 | 0.72 | CA1 (0.69) | HTTCA1CA2CHATTSHR | |
| SCHEMBL248055 | 0.72 | GPR84 (0.37) | HTTBCHEACHEGPR84KDM4E | |
| SCHEMBL5183808 | 0.72 | CYP1A2 (0.50) | BCHEACHEGPR84ALDH1A1 | |
| SCHEMBL13925373 | 0.72 | CYP2A6 (0.50) | CA1CA2ACHEGPR84CHAT | |
| SCHEMBL11310675 | 0.72 | ALDH1A1 (0.50) | GPR84TSHRKDM4EALDH1A1GAA | |
| SCHEMBL20292597 | 0.72 | GPR84 (0.37) | BCHEACHEGPR84 | |
| SCHEMBL18480076 | 0.72 | GPR84 (0.37) | BCHEACHEGPR84 | |
| Hydrochloric Acid SCHEMBL6435926 | 0.70 | GPR84 (0.36) | BCHEACHEGPR84 | |
| Hydrochloric Acid SCHEMBL25405344 | 0.70 | CA1 (0.67) | HTTCA1CA2CHATTSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3044221-A1 | 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE | Institute of Cancer Research: Royal Cancer Hospital (The) (GB) | 2016-07-20 | — | — | EP | disclosed |
| WO-2015036759-A1 | 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE | INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) | 2015-03-19 | — | — | WO | disclosed |
| EP-1023268-B1 | ISOQUINOLINES AS UROKINASE INHIBITORS | PFIZER LTD (GB) | 2003-05-21 | — | — | EP | disclosed |
| US-6248738-B1 | ANTIULCER AGENTS, ANGIOGENESIS INHIBITORS, ANTIMETASTASIS AGENTS, ANTITUMOR AGENTS | PFIZER INC. | 2001-06-19 | — | — | US | disclosed |
| CN-1275979-A | Isoquinoline compounds useful as urokinase inhibitors | PFIZER (US) | 2000-12-06 | — | — | CN | disclosed |
| EP-1023268-A1 | ISOQUINOLINES AS UROKINASE INHIBITORS | Pfizer Limited (GB) | 2000-08-02 | — | — | EP | disclosed |
| WO-1999020608-A1 | ISOQUINOLINES AS UROKINASE INHIBITORS | PFIZER LIMITED (GB) | 1999-04-29 | — | — | WO | disclosed |