Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.67 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.61 |
| ▸ | ATM | Q13315 | 1/20 | 0.60 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.60 |
| ▸ | RELA | Q04206 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | P4HB | P07237 | 1/20 | 0.57 |
| ▸ | BCHE | P06276 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | COMT | P21964 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10616434 | 1.00 | CYP1B1 (0.67) | CYP1B1HSD17B3CYP3A4ATMGPR55 | |
| SCHEMBL1801639 | 0.89 | CYP1B1 (0.73) | CYP1B1HSD17B3CYP3A4ATMGPR55 | |
| SCHEMBL1801640 | 0.89 | CYP1B1 (0.73) | CYP1B1HSD17B3CYP3A4ATMGPR55 | |
| SCHEMBL25193875 | 0.86 | ESR1 (0.67) | CYP1B1HSD17B3CYP3A4ATMGPR55 | |
| SCHEMBL25283293 | 0.86 | ESR1 (0.67) | CYP1B1HSD17B3CYP3A4ATMGPR55 | |
| SCHEMBL31233016 | 0.86 | ESR1 (0.67) | CYP1B1HSD17B3CYP3A4ATMGPR55 | |
| SCHEMBL29406397 | 0.86 | ESR1 (0.67) | CYP1B1HSD17B3CYP3A4ATMGPR55 | |
| SCHEMBL8735847 | 0.86 | CYP1B1 (0.68) | CYP1B1HSD17B3CYP3A4ATMGPR55 | |
| SCHEMBL864587 | 0.86 | CYP1B1 (0.73) | CYP1B1CYP3A4RELACA1CA2 | |
| SCHEMBL864586 | 0.86 | CYP1B1 (0.73) | CYP1B1CYP3A4RELACA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-63239427-A | — | — | None | — | — | JP | disclosed |
| JP-S63239427-A | NON-LINEAR OPTICAL DEVICE | NIPPON PETROCHEM CO LTD | 1988-10-05 | — | — | JP | disclosed |