Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK1E | P49674 | 1/20 | 0.43 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CETP | P11597 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7353864 | 0.90 | CSNK1E (0.48) | CSNK1ESIGMAR1CNR2 | |
| SCHEMBL7356051 | 0.86 | UGCG (0.39) | CSNK1ESIGMAR1CYP2C19 | |
| SCHEMBL7355894 | 0.82 | ERAP2 (0.46) | HPGD | |
| SCHEMBL7355286 | 0.79 | ERAP2 (0.46) | — | |
| SCHEMBL7356874 | 0.76 | UGCG (0.40) | CSNK1ECYP2C19 | |
| SCHEMBL7349299 | 0.76 | MMP8 (0.38) | — | |
| SCHEMBL30444595 | 0.75 | S1PR2 (0.50) | CSNK1ES1PR2S1PR1S1PR3CNR2 | |
| SCHEMBL27029539 | 0.75 | S1PR2 (0.50) | CSNK1ES1PR2S1PR1S1PR3CNR2 | |
| SCHEMBL7361305 | 0.75 | MMP3 (0.46) | CSNK1ES1PR2S1PR1S1PR3CNR2 | |
| SCHEMBL7358090 | 0.74 | ERAP2 (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999032454-A9 | NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS | DU PONT PHARM CO (US) | 2001-05-31 | — | — | WO | claimed |
| EP-1042299-A1 | NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999032454-A1 | NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-07-01 | — | — | WO | disclosed |