Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17467913 | 0.84 | ALDH1A1 (0.40) | CYP3A4CYP1A2CYP2D6ALDH1A1HPGD | |
| SCHEMBL3885015 | 0.79 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2D6ADORA3ADORA2B | |
| SCHEMBL12284152 | 0.79 | KMT2A (0.47) | CYP3A4CYP1A2CYP2D6ADORA3ADORA2B | |
| SCHEMBL9257137 | 0.76 | KMT2A (0.51) | CYP3A4CYP1A2CYP2D6ALDH1A1HPGD | |
| SCHEMBL7964576 | 0.75 | KMT2A (0.53) | CYP3A4CYP1A2CYP2D6ADORA3ADORA2B | |
| SCHEMBL17468147 | 0.73 | UNG (0.41) | CYP3A4CYP1A2CYP2D6ALDH1A1HPGD | |
| SCHEMBL5742355 | 0.73 | MAPT (0.41) | CYP3A4CYP1A2CYP2D6ADORA3ADORA2B | |
| SCHEMBL157928 | 0.72 | CYP3A4 (0.71) | CYP3A4CYP1A2CYP2D6ADORA3ADORA2B | |
| SCHEMBL8195993 | 0.71 | ALDH1A1 (0.43) | CYP3A4CYP1A2CYP2D6ADORA2BALDH1A1 | |
| SCHEMBL5408183 | 0.71 | B3GNT2 (0.42) | CYP3A4CYP1A2CYP2D6ALDH1A1HPGD |
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-5382585-A | Treatment of cardiovascular disorders and erectile dysfunctions | CASSELLA AG (DE) | 1995-01-17 | — | — | US | disclosed |