Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 6/20 | 0.42 |
| ▸ | CTSK | P43235 | 5/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8905018 | 1.00 | REN (0.44) | RENCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL6044529 | 0.91 | KLK5 (0.45) | RENALDH1A1CTSSCTSKCTSL | |
| SCHEMBL6044536 | 0.91 | KLK5 (0.45) | RENALDH1A1CTSSCTSKCTSL | |
| SCHEMBL5312993 | 0.87 | CTSS (0.50) | CYP1A2CYP2C9CYP2C19HTTALDH1A1 | |
| SCHEMBL8905435 | 0.86 | CYP1A2 (0.45) | RENCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL8905431 | 0.86 | CYP1A2 (0.45) | RENCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL8906223 | 0.82 | MAPT (0.50) | CYP1A2CYP2C9CYP2C19HTTALDH1A1 | |
| SCHEMBL8906225 | 0.82 | MAPT (0.50) | CYP1A2CYP2C9CYP2C19HTTALDH1A1 | |
| SCHEMBL6044811 | 0.80 | TP53 (0.46) | RENCTSSCTSKCTSLCTSB | |
| SCHEMBL6044618 | 0.80 | TP53 (0.46) | RENCTSSCTSKCTSLCTSB |
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-5659065-A | CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS | NOVARTIS CORPORATION (US) | 1997-08-19 | — | — | US | disclosed |