Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | ACACA | Q13085 | 5/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13458815 | 0.95 | CYP1A1 (0.54) | CYP1A1CYP1B1CYP1A2ACACACYP2C19 | |
| SCHEMBL29358046 | 0.93 | CYP1A1 (0.56) | CYP1A1CYP1B1CYP1A2ACACACYP2C19 | |
| SCHEMBL184973 | 0.93 | CYP1A1 (0.56) | CYP1A1CYP1B1CYP1A2ACACACYP2C19 | |
| SCHEMBL29373621 | 0.93 | CYP1A1 (0.56) | CYP1A1CYP1B1CYP1A2ACACACYP2C19 | |
| SCHEMBL439445 | 0.92 | CYP1A1 (0.58) | CYP1A1CYP1B1CYP1A2ACACACYP2C19 | |
| SCHEMBL440520 | 0.90 | CYP1A1 (0.53) | CYP1A1CYP1B1CYP1A2ACACACYP2C19 | |
| SCHEMBL13458896 | 0.89 | CYP1B1 (0.44) | CYP1A1CYP1B1CYP1A2ACACAALDH1A1 | |
| SCHEMBL3693998 | 0.89 | CYP1A1 (0.54) | CYP1A1CYP1B1CYP1A2ACACACYP2C19 | |
| SCHEMBL3693799 | 0.87 | CYP1B1 (0.45) | CYP1A1CYP1B1CYP1A2ACACACYP2C19 | |
| SCHEMBL13458693 | 0.87 | CYP1A1 (0.56) | CYP1A1CYP1B1CYP1A2ACACACYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2161272-A1 | Phenanthrolines | BASF SE (DE) | 2010-03-10 | — | — | EP | disclosed |