Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | DNASE1L3 | Q13609 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | PRMT1 | Q99873 | 2/20 | 0.41 |
| ▸ | MPL | P40238 | 1/20 | 0.40 |
| ▸ | CTRC | Q99895 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11672133 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2C9HPGDTSHRCYP2C19 | |
| SCHEMBL11670904 | 0.92 | CYP1A2 (0.47) | CYP1A2CYP2C9HPGDTSHRCYP2C19 | |
| SCHEMBL11670906 | 0.92 | CYP1A2 (0.47) | CYP1A2CYP2C9HPGDTSHRCYP2C19 | |
| SCHEMBL11672099 | 0.90 | CYP1A2 (0.43) | CYP1A2CYP2C9HPGDTSHRCYP2C19 | |
| SCHEMBL11672091 | 0.90 | CYP1A2 (0.43) | CYP1A2CYP2C9HPGDTSHRCYP2C19 | |
| SCHEMBL11672215 | 0.87 | CYP1A2 (0.47) | CYP1A2CYP2C9HPGDTSHRCYP2C19 | |
| SCHEMBL11672209 | 0.87 | CYP1A2 (0.47) | CYP1A2CYP2C9HPGDTSHRCYP2C19 | |
| SCHEMBL11671910 | 0.84 | CD40 (0.47) | CYP1A2CYP2C9HPGDTSHRCYP2C19 | |
| SCHEMBL11671907 | 0.84 | CD40 (0.47) | CYP1A2CYP2C9HPGDTSHRCYP2C19 | |
| SCHEMBL13880634 | 0.83 | THRB (0.52) | CYP1A2CYP2C9MAPK1DNASE1L3HIF1A |
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-4029597-A | AZO DYES HAVING A SULFONIC ACID OR CARBOXYL GROUP | E. MERCK A. G. (DT) | 1977-06-14 | — | — | US | claimed |
| US-4029598-A | AZO DYES HAVING A SULFONIC ACID OR CARBOXYL GROUP | E. MERCK A. G. (DT) | 1977-06-14 | — | — | US | claimed |