Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | CTRC | Q99895 | 1/20 | 0.36 |
| ▸ | BID | P55957 | 3/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.36 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.36 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.36 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.36 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27540250 | 0.98 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP2C9LIPGNR1H2 | |
| SCHEMBL8524683 | 0.91 | LIPG (0.53) | CYP3A4CYP2D6CYP2C9LIPGNR1H2 | |
| SCHEMBL48878 | 0.82 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C9LIPGNR1H2 | |
| SCHEMBL1032669 | 0.80 | ALOX5 (0.49) | CYP3A4CYP2D6CYP2C9BIDMCL1 | |
| SCHEMBL944030 | 0.79 | SIGMAR1 (0.46) | CYP3A4CYP2D6CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL28991000 | 0.79 | LIPG (0.54) | CYP3A4CYP2D6CYP2C9LIPGNR1H2 | |
| SCHEMBL28206166 | 0.78 | CYP3A4 (0.40) | CYP3A4CYP2D6CYP2C9LIPGMCL1 | |
| SCHEMBL24389142 | 0.78 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP2C9LIPGNR1H2 | |
| SCHEMBL993745 | 0.78 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9LIPGNR1H2 | |
| SCHEMBL29651833 | 0.78 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9LIPGNR1H2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0641308-B1 | PROCESS FOR PREPARING N-ALIPHATIC SUBSTITUTED P-PHENYLENEDIAMINES | MONSANTO CO (US) | 1997-03-12 | — | — | EP | disclosed |
| EP-0641308-A1 | PROCESS FOR PREPARING N-ALIPHATIC SUBSTITUTED P-PHENYLENEDIAMINES. | MONSANTO CO (US) | 1995-03-08 | — | — | EP | disclosed |
| WO-1993024443-A1 | PROCESS FOR PREPARING N-ALIPHATIC SUBSTITUTED P-PHENYLENEDIAMINES | MONSANTO COMPANY (US) | 1993-12-09 | — | — | WO | disclosed |
| US-5252737-A | Process for preparing N-aliphatic substituted p-phenylenediamines | MONSANTO COMPANY (US) | 1993-10-12 | — | — | US | disclosed |