Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19290592 | 0.82 | ALDH1A1 (0.38) | ALDH1A1LMNACCNE2CDK4CCND1 | |
| SCHEMBL13373996 | 0.82 | DHFR (0.35) | ALDH1A1LMNADHFRMEN1KMT2A | |
| SCHEMBL20433337 | 0.81 | ALDH1A1 (0.36) | ALDH1A1LMNACCNE2CDK4CCND1 | |
| SCHEMBL11693781 | 0.78 | ALDH1A3 (0.38) | ALDH1A1LMNACCNE2CDK4CCND1 | |
| SCHEMBL13370600 | 0.78 | ALDH1A3 (0.41) | ALDH1A1LMNACCNE2CDK4CCND1 | |
| SCHEMBL29196001 | 0.78 | DHFR (0.46) | ALDH1A1DHFRIDO1 | |
| SCHEMBL5609792 | 0.78 | ALDH1A1 (0.40) | ALDH1A1LMNACCNE2CDK4CCND1 | |
| SCHEMBL24016871 | 0.76 | KDM4E (0.40) | ALDH1A1OPRD1 | |
| SCHEMBL3560236 | 0.74 | ALDH1A1 (0.50) | ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL1188674 | 0.72 | RAPGEF4 (0.49) | ALDH1A1MEN1KMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5985869-A | USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1999-11-16 | — | — | US | disclosed |
| US-5753677-A | Benzoheterocyclic compounds | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| US-5559230-A | VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-09-24 | — | — | US | disclosed |
| EP-0450097-B1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMA CO LTD (JP) | 1996-04-24 | — | — | EP | disclosed |
| EP-0602209-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |
| EP-0450097-A1 | BENZOHETEROCYCLIC COMPOUNDS. | OTSUKA PHARMA CO LTD (JP) | 1991-10-09 | — | — | EP | disclosed |
| WO-1991005549-A1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-05-02 | — | — | WO | disclosed |