Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.53 |
| ▸ | CA1 | P00915 | 7/20 | 0.53 |
| ▸ | CA2 | P00918 | 7/20 | 0.53 |
| ▸ | CA9 | Q16790 | 7/20 | 0.53 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | GLS | O94925 | 1/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.46 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.46 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.46 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5298485 | 0.82 | NPC1 (0.54) | MAPK8KMT2ANPC1RAB9AP2RX7 | |
| SCHEMBL16268539 | 0.81 | CA12 (0.56) | CA12CA1CA2CA9MAPK8 | |
| SCHEMBL21379858 | 0.81 | CA12 (0.56) | CA12CA1CA2CA9MAPK8 | |
| SCHEMBL6503775 | 0.81 | CA12 (0.53) | CA12CA1CA2CA9MAPK8 | |
| SCHEMBL30545016 | 0.81 | CA12 (0.56) | CA12CA1CA2CA9MAPK8 | |
| SCHEMBL8569167 | 0.80 | GABRA1 (0.41) | KMT2A | |
| SCHEMBL4071022 | 0.79 | MTNR1A (0.52) | RIPK1TAAR1GLS | |
| SCHEMBL4619113 | 0.79 | CYP1A2 (0.46) | CA12CA1CA2CA9MAPK8 | |
| SCHEMBL22275806 | 0.78 | GLS (0.47) | KMT2AGLSALDH1A1 | |
| SCHEMBL4371077 | 0.78 | AKR1B1 (0.61) | CA12CA2CA9SIGMAR1 |
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-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | claimed |
| CN-103524412-B | Isoquinolone derivative and synthetic method thereof | GUANGDONG HOSPITAL TRADITIONAL CHINESE MEDICINE | 2015-02-18 | — | — | CN | disclosed |
| CN-102952061-B | N-substituted indole-diketone compound and preparation method thereof | SHANGHAI UNIVERSITY (CN) | 2014-10-01 | — | — | CN | disclosed |
| CN-102952061-A | N-substituted indole-diketone compound and preparation method thereof | UNIV SHANGHAI | 2013-03-06 | — | — | CN | disclosed |
| US-6300352-B1 | FOR THERAPY OF ASTHMA | ASTRAZENECA AB (SE) | 2001-10-09 | — | — | US | disclosed |
| CN-1257481-A | Pyridine derivatives and pharmaceutical compositions containing them | ASTRA PHARMA PROD (GB) | 2000-06-21 | — | — | CN | disclosed |
| EP-0971892-A1 | NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Astra Pharmaceuticals Limited (GB) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998042670-A1 | NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ASTRA PHARMACEUTICALS LTD. (GB) | 1998-10-01 | — | — | WO | disclosed |