Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31618738 | 0.84 | PTGS2 (0.67) | PTGS2CYP2A6CYP2B6ESR1ESR2 | |
| SCHEMBL2037998 | 0.78 | ESR1 (0.71) | ESR1ESR2ALDH1A1NPC1RAB9A | |
| SCHEMBL6050649 | 0.78 | PTGS2 (0.56) | PTGS2CYP2A6CYP2B6ESR1ESR2 | |
| SCHEMBL12422714 | 0.77 | CYP2A6 (0.68) | PTGS2CYP2A6CYP2B6ESR1ESR2 | |
| SCHEMBL9672144 | 0.77 | CYP2A6 (0.56) | PTGS2CYP2A6CYP2B6ESR1ESR2 | |
| SCHEMBL31618783 | 0.76 | CYP2A6 (0.65) | PTGS2CYP2A6CYP2B6ESR1ESR2 | |
| SCHEMBL2036568 | 0.74 | MAOA (0.41) | CYP2A6ESR1ESR2ALDH1A1NOTUM | |
| SCHEMBL7253177 | 0.72 | ESR1 (0.33) | ESR1ESR2 | |
| SCHEMBL13319556 | 0.72 | ALDH1A1 (0.46) | PTGS2ALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL6050693 | 0.71 | PTGS2 (0.72) | PTGS2PTGS1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5252574-A | Hypotensive agents, vision disorder | MERCK & CO., INC. (US) | 1993-10-12 | — | — | US | disclosed |
| US-5198438-A | ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED THIOPHENE OR FURAN | MERCK & CO., INC. (US) | 1993-03-30 | — | — | US | disclosed |
| US-5177074-A | Heterocyclic nitrogen compounds used to treat hypertension, cognitive dysfunction, anxiety or depression | MERCK & CO., INC. (US) | 1993-01-05 | — | — | US | disclosed |
| EP-0137333-B1 | SPIRO-TRICYCLICAROMATIC SUCCINIMIDE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE | ALCON LABORATORIES, INC. (US) | 1992-12-30 | — | — | EP | disclosed |
| EP-0513979-A1 | Angiotensin II antagonists incorporating a substituted thiophene or furan | MERCK & CO. INC. (US) | 1992-11-19 | — | — | EP | disclosed |
| EP-0512675-A1 | Angiotensin II antagonists incorporating a substituted thiophene or furan | MERCK & CO. INC. (US) | 1992-11-11 | — | — | EP | disclosed |
| EP-0510812-A1 | Angiotensin II antagonists incorporating a substituted thiophene or furan | MERCK & CO. INC. (US) | 1992-10-28 | — | — | EP | disclosed |
| US-5153211-A | Enzyme inhibitors | ALCON LABORATORIES, INC. (US) | 1992-10-06 | — | — | US | disclosed |
| US-5070100-A | COMPLICATIONS OF DIABETES | ALCON LABORATORIES, INC. (US) | 1991-12-03 | — | — | US | disclosed |
| US-4864028-A | ANTIDIABETIC AGENTS | ALCON LABORATORIES, INC. (US) | 1989-09-05 | — | — | US | disclosed |
| US-4537892-A | ANTIDIABETIC AGENTS | ALCON LABORATORIES, INC. (US) | 1985-08-27 | — | — | US | disclosed |
| EP-0137333-A2 | Spiro-tricyclicaromatic succinimide derivatives as inhibitors of aldose reductase | ALCON LABORATORIES, INC. (US) | 1985-04-17 | — | — | EP | disclosed |