Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | RGS12 | O14924 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL7248577 | 0.82 | MAPK14 (0.52) | AKR1C3ALDH1A1KMT2ARAB9ADRD2 | |
| SCHEMBL5829519 | 0.79 | CYP17A1 (0.51) | MAPTHIF1AALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL6338216 | 0.78 | GRIA1 (0.47) | MAPTSMN1; SMN2GRM5ALDH1A1BRAF | |
| SCHEMBL5829983 | 0.75 | KDM4E (0.41) | AKR1C3MAPTSMN1; SMN2GRM5ALDH1A1 | |
| SCHEMBL5829985 | 0.75 | KDM4E (0.41) | AKR1C3MAPTSMN1; SMN2GRM5ALDH1A1 | |
| SCHEMBL5257757 | 0.74 | MAPK11 (0.69) | AKR1C3HIF1A | |
| Water SCHEMBL28746870 | 0.73 | MAPK11 (0.68) | AKR1C3HIF1A | |
| SCHEMBL14519526 | 0.72 | MAPK11 (0.55) | HIF1A | |
| SCHEMBL38663059 | 0.72 | HIF1A (0.76) | AKR1C3MAPTSMN1; SMN2HIF1ATRPV1 | |
| SCHEMBL6337994 | 0.70 | MELK (0.51) | MAPTKMT2AMEN1BRAFDRD2 |
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-6617324-B1 | Phenyl, cyclohexyl and pyridinyl or pyrimidinyl-substituted | G. D. SEARLE & COMPANY | 2003-09-09 | — | — | US | disclosed |