Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 9/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1308405 | 0.89 | PDE5A (0.46) | PDE5AALDH1A1HPGDKDM4ENPC1 | |
| SCHEMBL1310633 | 0.84 | PDE5A (0.67) | PDE5AALDH1A1HPGDKDM4ENPC1 | |
| SCHEMBL1311386 | 0.82 | PDE5A (0.43) | PDE5AALDH1A1HPGDKDM4ENPC1 | |
| SCHEMBL1900992 | 0.81 | PDE5A (0.70) | PDE5AALDH1A1HPGDKDM4ENPC1 | |
| SCHEMBL1310529 | 0.79 | RORC (0.51) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7500320 | 0.77 | PDE5A (0.46) | PDE5AALDH1A1HPGDKDM4ENPC1 | |
| SCHEMBL1308781 | 0.77 | ALDH1A1 (0.43) | PDE5AALDH1A1HPGDKDM4ENPC1 | |
| SCHEMBL7494265 | 0.75 | PDE5A (0.73) | PDE5AALDH1A1HPGDKDM4ENPC1 | |
| SCHEMBL3073752 | 0.75 | PDE5A (0.73) | PDE5AALDH1A1HPGDKDM4ENPC1 | |
| SCHEMBL1308619 | 0.74 | F2RL3 (0.55) | ALDH1A1HPGDTP53CYP1A2RAB9A |
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-8053459-B1 | Selenolopyrazole derivatives and use thereof as anticancer agents | CHINA MEDICAL UNIVERSITY (TW) | 2011-11-08 | — | — | US | disclosed |