Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.41 |
| ▸ | TUBB | P07437 | 3/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 3/20 | 0.41 |
| ▸ | TUBA3E | Q6PEY2 | 3/20 | 0.41 |
| ▸ | TUBA1A | Q71U36 | 3/20 | 0.41 |
| ▸ | TUBA1C | Q9BQE3 | 3/20 | 0.41 |
| ▸ | TUBB6 | Q9BUF5 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2618698 | 0.83 | PTGS2 (0.54) | PTGS2ACHEMAPTCYP3A4CA9 | |
| SCHEMBL10110894 | 0.83 | PTGS2 (0.54) | PTGS2ACHEMAPTCYP3A4CA9 | |
| SCHEMBL4098658 | 0.83 | PTGS2 (0.54) | PTGS2ACHEMAPTCYP3A4CA9 | |
| SCHEMBL7818360 | 0.80 | PTGS2 (0.45) | PTGS2ACHEMAPTCYP3A4CA9 | |
| SCHEMBL7815128 | 0.80 | PTGS2 (0.45) | PTGS2ACHEMAPTCYP3A4CA9 | |
| SCHEMBL24498543 | 0.78 | PTGS2 (0.48) | PTGS2ACHEMAPTCYP3A4CA9 | |
| SCHEMBL683553 | 0.76 | ACHE (0.54) | PTGS2ACHEMAPTCYP3A4CA9 | |
| SCHEMBL9828544 | 0.76 | ACHE (0.54) | PTGS2ACHEMAPTCYP3A4CA9 | |
| SCHEMBL8403278 | 0.73 | PTGS2 (0.42) | PTGS2ACHEMAPTCYP3A4CA9 | |
| SCHEMBL11230980 | 0.73 | PTGS2 (0.52) | PTGS2ACHEMAPTCYP3A4CA9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4352805-A | BENZOXEPINE DERIVATIVES | THE UPJOHN COMPANY (US) | 1982-10-05 | — | — | US | disclosed |
| US-4312868-A | HYPOTENSIVE, ANTIPSYCHOTIC | THE UPJOHN COMPANY (US) | 1982-01-26 | — | — | US | disclosed |
| US-4251526-A | HYPOTENSIVE AGENTS AND ANTIPSYCHOTIC | PHARMACIA & UPJOHN COMPANY | 1981-02-17 | — | — | US | disclosed |
| US-4250181-A | HYPOTENSIVE AGENTS, ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1981-02-10 | — | — | US | disclosed |
| US-4250175-A | HYPOTENSIVE AGENTS, ANTIDEPRESSANTS | PHARMACIA & UPJOHN COMPANY | 1981-02-10 | — | — | US | disclosed |
| US-4247553-A | HYPOTENSIVE AGENTS, ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1981-01-27 | — | — | US | disclosed |
| US-4179510-A | ISOCHROMANS AND 2-BENZOXEPINS | THE UPJOHN COMPANY (US) | 1979-12-18 | — | — | US | disclosed |
| US-4166062-A | HYPOTENSIVE AGENTS, CNS, ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1979-08-28 | — | — | US | disclosed |
| US-4153612-A | 2-Benzoxepins | THE UPJOHN COMPANY (US) | 1979-05-08 | — | — | US | disclosed |