Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | CA4 | P22748 | 1/20 | 0.61 |
| ▸ | CA6 | P23280 | 1/20 | 0.61 |
| ▸ | CA7 | P43166 | 1/20 | 0.61 |
| ▸ | TPMT | P51580 | 1/20 | 0.61 |
| ▸ | CA9 | Q16790 | 1/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL12682342 | 0.85 | MAPT (0.71) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL4151619 | 0.83 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL1436474 | 0.83 | SMPD1 (0.66) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL28961053 | 0.81 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL2446906 | 0.81 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL29412632 | 0.81 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL9638760 | 0.81 | SMPD1 (0.64) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL7959710 | 0.81 | NR1H4 (0.62) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL29415167 | 0.80 | MAPK1 (0.77) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL335681 | 0.80 | MAPK1 (0.77) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 |
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 6 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 |
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |
| US-6245779-B1 | ANALGESICS; ANTIINFLAMMATORY AGENTS | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2001-06-12 | — | — | US | disclosed |
| CN-1262685-A | Naphthyridine derivatives | OTSUKA PHARMA CO LTD (JP) | 2000-08-09 | — | — | CN | disclosed |
| EP-0997463-A1 | NAPHTHYRIDINE DERIVATIVES | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2000-05-03 | — | — | EP | disclosed |
| US-4342875-A | STABILIZERS FOR OLEFIN POLYMERS | CINCINNATI-MILACRON, INC. (US) | 1982-08-03 | — | — | US | disclosed |