Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27717075 | 0.84 | SLC9A1 (0.61) | MEN1KMT2AALDH1A1KDM4ECYP2D6 | |
| SCHEMBL7773858 | 0.84 | CASP6 (0.54) | MEN1KMT2AALDH1A1CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL28822009 | 0.83 | CASP6 (0.53) | MEN1KMT2AALDH1A1CYP2D6CYP2C9 | |
| SCHEMBL28105867 | 0.83 | ALDH1A1 (0.55) | MEN1KMT2AALDH1A1MAPTCYP2D6 | |
| Hydrochloric Acid SCHEMBL28029756 | 0.82 | ALDH1A1 (0.53) | MEN1KMT2AALDH1A1MAPTCYP2D6 | |
| SCHEMBL2953971 | 0.81 | PDK1 (0.62) | VCAM1HPGDMEN1KMT2AALDH1A1 | |
| SCHEMBL5593195 | 0.80 | ALDH1A1 (0.54) | HPGDMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL20594403 | 0.80 | VCAM1 (0.57) | VCAM1HPGDMEN1KMT2AALDH1A1 | |
| SCHEMBL6171317 | 0.80 | MAPT (0.57) | HPGDMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL3085325 | 0.80 | VCAM1 (0.59) | VCAM1HPGDMEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012176123-A1 | 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | NOVARTIS AG (CH) | 2012-12-27 | — | — | WO | disclosed |
| US-6265575-B1 | THROMBIN INHIBITORS | ELI LILLY AND COMPANY | 2001-07-24 | — | — | US | disclosed |
| US-6251921-B1 | ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL | ELI LILLY AND COMPANY | 2001-06-26 | — | — | US | disclosed |
| US-6025382-A | Antithrombotic diamines | ELI LILLY AND COMPANY (US) | 2000-02-15 | — | — | US | disclosed |