Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL900037 | 0.77 | ALDH1A1 (0.42) | CYP3A4MAPK1ALDH1A1CYP2A6HTR2A | |
| SCHEMBL900651 | 0.75 | CYP3A4 (0.46) | CYP3A4MAPK1CYP2A6AHR | |
| SCHEMBL11464954 | 0.73 | ACHE (0.33) | CYP3A4 | |
| SCHEMBL27803122 | 0.72 | CYP3A4 (0.39) | CYP3A4MAPK1ALDH1A1CYP2A6HTR2A | |
| SCHEMBL1446442 | 0.72 | CYP3A4 (0.38) | CYP3A4MAPK1CYP2A6AHR | |
| SCHEMBL258271 | 0.72 | CYP3A4 (0.39) | CYP3A4MAPK1ALDH1A1CYP2A6HTR2A | |
| SCHEMBL3033905 | 0.72 | MAPT (0.38) | CYP3A4MAPK1ALDH1A1HTR2AHTR2C | |
| SCHEMBL3579553 | 0.70 | KDM4E (0.35) | CYP3A4MAPK1ALDH1A1 | |
| SCHEMBL21616555 | 0.69 | PTGS1 (0.40) | CYP2A6 | |
| SCHEMBL10732964 | 0.69 | CYP3A4 (0.31) | CYP3A4MAPK1 |
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-1993012786-A1 | INDOLINONE DERIVATIVES | HOWARD HARRY R JR (US) | 1993-07-08 | — | — | WO | disclosed |
| EP-0081679-B1 | SUBSTITUTED BENZYLIMIDAZOLIUM SALTS AND MICROBICIDES CONTAINING THEM | BASF Aktiengesellschaft (DE) | 1986-01-29 | — | — | EP | disclosed |
| US-4481211-A | BACTERICIDES, FUNGICIDES, ALGICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1984-11-06 | — | — | US | disclosed |
| EP-0081679-A2 | Substituted benzylimidazolium salts and microbicides containing them | BASF Aktiengesellschaft (DE) | 1983-06-22 | — | — | EP | disclosed |