Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.56 |
| ▸ | TP53 | P04637 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | FAAH | O00519 | 11/20 | 0.54 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL18902711 | 0.87 | CYP1A2 (0.53) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 | |
| SCHEMBL15343278 | 0.81 | FAAH (0.50) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 | |
| SCHEMBL20816281 | 0.80 | CYP1A2 (0.62) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 | |
| SCHEMBL15356477 | 0.80 | KIT (0.50) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 | |
| Hydrochloric Acid SCHEMBL11786245 | 0.79 | TP53 (0.55) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 | |
| SCHEMBL15343302 | 0.79 | CYP1A2 (0.47) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 | |
| SCHEMBL11783584 | 0.79 | FAAH (0.53) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 | |
| SCHEMBL15343354 | 0.78 | CYP1A2 (0.41) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 | |
| SCHEMBL15343345 | 0.78 | CYP1A2 (0.53) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 | |
| Hydrochloric Acid SCHEMBL11784883 | 0.78 | FAAH (0.52) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-3950525-A | BRONCHODILATION, 4-HYDROXY-6-ARYL PYRIMIDINES | PFIZER INC. (US) | 1976-04-13 | — | — | US | disclosed |