Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10649369 | 0.94 | PTGS2 (0.49) | MAOBENPP2PTGS2AKR1C3PTGS1 | |
| SCHEMBL607349 | 0.93 | ENPP2 (0.52) | MAOBENPP2PTGS2AKR1C3CYP2A6 | |
| SCHEMBL9720721 | 0.91 | MAOB (0.55) | MAOBENPP2PTGS2AKR1C3PTGS1 | |
| SCHEMBL9720723 | 0.91 | MAOB (0.55) | MAOBENPP2PTGS2AKR1C3PTGS1 | |
| SCHEMBL4715345 | 0.87 | PTGS2 (0.53) | ENPP2PTGS2AKR1C3CYP2A6 | |
| Benzaldehyde SCHEMBL28192263 | 0.85 | ALDH1A1 (0.58) | PTGS2AKR1C3CYP2A6AKR1C2AKR1C1 | |
| SCHEMBL27722400 | 0.83 | PTGS2 (0.59) | PTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL3923767 | 0.82 | ALDH1A1 (0.50) | ENPP2PTGS2AKR1C3CYP2A6 | |
| SCHEMBL17439304 | 0.81 | PTGS2 (0.64) | PTGS2AKR1C3PTGS1AKR1C2AKR1C1 | |
| SCHEMBL5698418 | 0.81 | PTGS2 (0.64) | PTGS2AKR1C3PTGS1AKR1C2AKR1C1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5152922-A | 1,4-DISTYRYLBENZENE COMPOUNDS AND MIXTURES THEREOF WITH OTHER 1,4-DISTYRYBENZENE COMPOUNDS | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0252009-B1 | 1,4-DISTYRYL BENZENE COMPOUNDS AND THEIR MIXTURES WITH OTHER 1,4-DISTYRYL BENZENE COMPOUNDS | CIBA-GEIGY AG (CH) | 1990-08-01 | — | — | EP | disclosed |