Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | MLNR | O43193 | 1/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.62 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.62 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.62 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.62 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.62 |
| ▸ | PDE4A | P27815 | 1/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.62 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL598101 | 0.89 | CYP1A2 (0.65) | CYP1A2ALDH1A1CYP3A4MAPK1HSD17B10 | |
| SCHEMBL10951691 | 0.88 | CYP1A2 (0.64) | CYP1A2ALDH1A1CYP3A4MAPK1HSD17B10 | |
| SCHEMBL10951705 | 0.88 | CYP1A2 (0.64) | CYP1A2ALDH1A1CYP3A4MAPK1HSD17B10 | |
| SCHEMBL10951695 | 0.86 | CYP1A2 (0.61) | CYP1A2ALDH1A1CYP3A4MAPK1HSD17B10 | |
| SCHEMBL21346898 | 0.85 | CYP1A2 (0.63) | CYP1A2ALDH1A1CYP3A4MAPK1HSD17B10 | |
| SCHEMBL21346880 | 0.84 | DNMT1 (0.56) | ADRA1AKMT2AMEN1 | |
| SCHEMBL21346888 | 0.84 | KDM4E (0.73) | CYP1A2ALDH1A1CYP3A4MAPK1HSD17B10 | |
| SCHEMBL11525169 | 0.81 | CYP3A4 (0.69) | CYP1A2ALDH1A1CYP3A4MAPK1HSD17B10 | |
| SCHEMBL21346896 | 0.81 | KMT2A (0.60) | CYP1A2ALDH1A1CYP3A4MAPK1HSD17B10 | |
| SCHEMBL21121619 | 0.80 | POLB (0.67) | CYP1A2ALDH1A1HPGDKDM4EPOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008135886-A2 | QUINOLINE DERIVATIVES FOR USE IN THE INHIBITION OF THE GROWTH OF TUMOUR CELLS | UNIVERSITY OF PRETORIA (ZA) | 2008-11-13 | — | — | WO | disclosed |