Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | MAN2A1 | Q16706 | 2/20 | 0.49 |
| ▸ | MAN1B1 | Q9UKM7 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | KCNH3 | Q9ULD8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9729327 | 0.96 | HPGD (0.51) | HPGDCYP3A4CYP2D6CYP2C9PKM | |
| SCHEMBL6893034 | 0.83 | HPGD (0.53) | HPGDCYP3A4CYP2D6CYP2C9PKM | |
| SCHEMBL24724282 | 0.81 | HPGD (0.50) | HPGDCYP3A4CYP2D6CYP2C9PKM | |
| SCHEMBL25374756 | 0.76 | HPGD (0.45) | HPGDCYP3A4CYP2D6CYP2C9PKM | |
| SCHEMBL9729453 | 0.76 | HPGD (0.56) | HPGDCYP3A4CYP2D6CYP2C9PKM | |
| SCHEMBL22716559 | 0.73 | ALDH1A1 (0.58) | HPGDPKMALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL22716556 | 0.73 | ALDH1A1 (0.58) | HPGDPKMALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL8795712 | 0.72 | USP2 (0.46) | HPGDALDH1A1SMN1; SMN2TDP1ALOX12 | |
| SCHEMBL23428958 | 0.71 | ALDH1A1 (0.54) | HPGDCYP3A4CYP2D6CYP2C9PKM | |
| SCHEMBL12587104 | 0.70 | ALDH1A1 (0.56) | HPGDCYP2C9CYP2C19ALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4803200-A | SHIPPING FEVER SYNDROME | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-02-07 | — | — | US | claimed |
| US-5171753-A | Derivatives of 2-amino-1-phenylethanol having antiulcer activity | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-12-15 | — | — | US | disclosed |
| US-4803200-A | SHIPPING FEVER SYNDROME | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-02-07 | — | — | US | disclosed |