Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.35 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.35 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.35 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.35 |
| ▸ | CYP2F1 | P24903 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5254418 | 0.84 | LMNA (0.56) | LMNAGRM5KDM4E | |
| SCHEMBL2641343 | 0.82 | CA12 (0.50) | ALDH1A1KMT2ALMNAGRM5KDM4E | |
| SCHEMBL2641274 | 0.79 | TUBB1 (0.45) | CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL3315142 | 0.78 | MAOB (0.36) | ALDH1A1POLBKMT2ACYP1A2KDM4E | |
| SCHEMBL11553427 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP1A1CYP1B1POLBLMNA | |
| SCHEMBL31404220 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP1A1CYP1B1POLBKDM4E | |
| SCHEMBL5254515 | 0.76 | HPGD (0.36) | ALDH1A1POLBLMNACYP1A2CYP2D6 | |
| SCHEMBL2641220 | 0.74 | CA2 (0.55) | ALDH1A1POLBLMNACYP1A2CYP3A4 | |
| SCHEMBL2097716 | 0.73 | ALDH1A1 (0.58) | ALDH1A1CYP1A1CYP1B1POLBKMT2A | |
| SCHEMBL5540730 | 0.73 | SOD1 (0.47) | GRM5CYP4F2CYP4A11 |
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 |