Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL12469489 | 0.92 | CYP2D6 (0.34) | CYP2D6CYP19A1MAOAMAOBCXCR4 | |
| SCHEMBL3897536 | 0.82 | CYP19A1 (0.38) | CYP19A1HRH3 | |
| SCHEMBL29471957 | 0.76 | HRH3 (0.57) | CYP19A1MAPTHRH3USP2ALDH1A1 | |
| SCHEMBL10424811 | 0.73 | CYP19A1 (0.48) | CYP19A1 | |
| SCHEMBL31682404 | 0.73 | HTT (0.41) | CYP2D6CXCR4TP53MAPTMAPK1 | |
| SCHEMBL12851401 | 0.73 | ALDH1A1 (0.45) | CYP2D6CXCR4TP53MAPTMAPK1 | |
| SCHEMBL3239300 | 0.70 | CYP19A1 (0.33) | CYP19A1 | |
| SCHEMBL2296855 | 0.69 | CYP19A1 (0.35) | CYP19A1 | |
| SCHEMBL29471948 | 0.68 | CYP19A1 (0.54) | CYP19A1MAOAMAOBTP53MAPT | |
| SCHEMBL536772 | 0.68 | USP2 (0.50) | CYP2D6CXCR4TP53MAPTMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0160620-B1 | METAL DEACTIVATORS | CIBA-GEIGY AG (CH) | 1989-09-13 | — | — | EP | claimed |
| EP-0160620-B1 | METAL DEACTIVATORS | CIBA-GEIGY AG (CH) | 1989-09-13 | — | — | EP | disclosed |