Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL100732 | 0.82 | CYP1A2 (0.76) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL4446684 | 0.82 | LMNA (0.47) | LMNAKMT2AALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL3163595 | 0.82 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL29513232 | 0.78 | CYP19A1 (0.46) | CYP1A2MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL899 | 0.78 | CYP19A1 (0.46) | CYP1A2MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL14081999 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL1841101 | 0.77 | SMN1; SMN2 (0.47) | CYP1A2MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL8932055 | 0.77 | CYP19A1 (0.44) | CYP1A2MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL6896174 | 0.73 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL588692 | 0.72 | ESR2 (0.44) | CYP1A2CYP3A4MAPTMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934265-B1 | AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2003-01-02 | — | — | EP | disclosed |
| US-6057342-A | INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR XA, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME AS ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS | DUPONT PHARMACEUTICAL CO. (US) | 2000-05-02 | — | — | US | disclosed |
| EP-0934265-A1 | AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF | Du Pont Pharmaceuticals Company (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998006694-A1 | AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-02-19 | — | — | WO | disclosed |