Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.56 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.45 |
| ▸ | ACACA | Q13085 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CTRC | Q99895 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3693998 | 0.98 | CYP1A1 (0.54) | CYP1A1CYP1B1GSTP1CYP1A2CYP17A1 | |
| SCHEMBL439445 | 0.95 | CYP1A1 (0.58) | CYP1A1CYP1B1GSTP1CYP1A2CYP17A1 | |
| SCHEMBL440520 | 0.93 | CYP1A1 (0.53) | CYP1A1CYP1B1GSTP1CYP1A2CYP17A1 | |
| SCHEMBL29373621 | 0.93 | CYP1A1 (0.56) | CYP1A1CYP1B1GSTP1CYP1A2CYP17A1 | |
| SCHEMBL29358046 | 0.93 | CYP1A1 (0.56) | CYP1A1CYP1B1GSTP1CYP1A2CYP17A1 | |
| SCHEMBL184973 | 0.93 | CYP1A1 (0.56) | CYP1A1CYP1B1GSTP1CYP1A2CYP17A1 | |
| SCHEMBL13458815 | 0.92 | CYP1A1 (0.54) | CYP1A1CYP1B1GSTP1CYP1A2CYP17A1 | |
| SCHEMBL9976734 | 0.89 | CYP1A1 (0.47) | CYP1A1CYP1B1GSTP1CYP1A2CYP17A1 | |
| SCHEMBL10032264 | 0.89 | CYP1A1 (0.47) | CYP1A1CYP1B1GSTP1CYP1A2CYP17A1 | |
| SCHEMBL12112655 | 0.87 | ACACA (0.51) | ADORA2AADORA1ACACAALDH1A1HPGD |
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 |