Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | INSR | P06213 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9850544 | 0.82 | CA12 (0.53) | ALDH1A1CYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL11605746 | 0.80 | CYP1A2 (0.75) | ALDH1A1CYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL9850366 | 0.79 | CYP1A2 (0.44) | ALDH1A1CYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL9850583 | 0.76 | MEN1 (0.51) | ALDH1A1CYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL9421891 | 0.76 | MAPT (0.52) | ALDH1A1CYP1A2CYP2C19KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL9850389 | 0.75 | ALDH1A1 (0.58) | ALDH1A1CYP3A4HSD17B10CYP1A2KDM4E | |
| SCHEMBL613300 | 0.75 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL9850623 | 0.74 | ALDH1A1 (0.51) | ALDH1A1CYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL4341824 | 0.73 | CYP1A2 (0.64) | ALDH1A1CYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL4168758 | 0.71 | ALDH1A1 (0.67) | ALDH1A1CYP3A4HSD17B10CYP1A2CYP2D6 |
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-0443862-A1 | Triamine derivatives and their acid-addition salts | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1991-08-28 | — | — | EP | disclosed |