Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.53 |
| ▸ | FAAH | O00519 | 3/20 | 0.52 |
| ▸ | CTSS | P25774 | 3/20 | 0.52 |
| ▸ | CTSL | P07711 | 2/20 | 0.52 |
| ▸ | CTSB | P07858 | 2/20 | 0.52 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | GRN | P28799 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL5530714 | 0.90 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP2C9CYP2C19POLB | |
| SCHEMBL5525435 | 0.86 | CTSS (0.62) | CYP3A4CYP2D6CYP2C9CYP2C19DPP7 | |
| SCHEMBL7046489 | 0.81 | ALDH1A1 (0.56) | CYP2D6POLBCTSSCTSLCTSB | |
| SCHEMBL6874696 | 0.80 | CPB2 (0.55) | POLBCTSSCTSLCTSBLTA4H | |
| SCHEMBL16026613 | 0.77 | DPP7 (0.81) | POLBDPP7FAAHGAAKDM4E | |
| SCHEMBL7297681 | 0.77 | CTSS (0.48) | POLBCTSSCTSLCTSBLTA4H | |
| SCHEMBL7297694 | 0.77 | CTSS (0.48) | POLBCTSSCTSLCTSBLTA4H | |
| SCHEMBL5530718 | 0.76 | DPP7 (0.55) | CYP3A4CYP2D6CYP2C9CYP2C19DPP7 | |
| SCHEMBL7598523 | 0.76 | DPP7 (0.55) | CYP3A4CYP2D6CYP2C9CYP2C19DPP7 | |
| SCHEMBL6876245 | 0.75 | CTSS (0.64) | CTSSCTSLCTSBSMN1; SMN2GRN |
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-1452522-A2 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2004-09-01 | — | — | EP | disclosed |