Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CCR3 | P51677 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RHOA | P61586 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7248310 | 0.85 | F10 (0.46) | SMN1; SMN2 | |
| SCHEMBL6583644 | 0.84 | CYP2D6 (0.48) | TSHRHIF1AALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL6582903 | 0.83 | GRM5 (0.51) | TSHRHIF1AGRM5ALDH1A1KMT2A | |
| SCHEMBL6584416 | 0.81 | CCR3 (0.62) | ALDH1A1KMT2ACCR3 | |
| SCHEMBL6583982 | 0.80 | CCR3 (0.64) | ALDH1A1KMT2ACCR3 | |
| SCHEMBL6583612 | 0.80 | CYP3A4 (0.44) | TSHRHIF1AGRM5ALDH1A1MAPT | |
| SCHEMBL6590015 | 0.79 | CCR3 (0.48) | TSHRHIF1ACYP1A2CYP3A4CCR3 | |
| SCHEMBL6583907 | 0.79 | ROCK2 (0.50) | TSHRGRM5ALDH1A1KMT2AMEN1 | |
| Acetic Acid SCHEMBL29291810 | 0.78 | KMT2A (0.52) | TSHRHIF1AGRM5ALDH1A1KMT2A | |
| SCHEMBL6585586 | 0.77 | F10 (0.48) | ALDH1A1SMN1; SMN2HPGDTP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6521614-B1 | Anticoagulant agents for treatment and prevention of thromboembolic disorders | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-02-18 | — | — | US | disclosed |
| US-5925635-A | 2-(OXO-1,3-PERHYDRODIAZEPINES OR 3-OXO-2,3,4,5-TETRAHYDRO-1H-2,4-BENZODIAZEPINES; ANTICOAGULANTS; ENZYME INHIBITORS OF SERINE PROTEASE THROMBIN, KALLIKREIN AND PLASMIN; NERVOUS SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-07-20 | — | — | US | disclosed |