Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
| ▸ | PPID | Q08752 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGAV | P06756 | 1/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.39 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL13505431 | 0.81 | ANPEP (0.63) | ALDH1A1ANPEPPPIDATMKLKB1 | |
| SCHEMBL13505201 | 0.80 | ANPEP (0.56) | ALDH1A1ANPEPPPIDATMKLKB1 | |
| SCHEMBL12643956 | 0.79 | PPID (0.45) | ALDH1A1PPIDHPGDSROCK2ROCK1 | |
| SCHEMBL2052313 | 0.74 | POLB (0.50) | ALDH1A1ANPEPATMITGB3ITGAV | |
| SCHEMBL13505315 | 0.74 | PPARG (0.53) | ALDH1A1ANPEPPPIDATMKLKB1 | |
| SCHEMBL13505761 | 0.72 | PPID (0.52) | ALDH1A1ANPEPPPIDATML3MBTL1 | |
| SCHEMBL22501724 | 0.72 | HPGDS (0.50) | HPGDSROCK2ROCK1 | |
| SCHEMBL12643839 | 0.72 | ATM (0.65) | ALDH1A1ANPEPPPIDATMKLKB1 | |
| SCHEMBL15832188 | 0.71 | ADRB2 (0.35) | ALDH1A1PPIDHPGDSNAMPTROCK1 | |
| SCHEMBL15832185 | 0.71 | PPID (0.65) | ALDH1A1ANPEPPPIDATMITGB3 |
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-2516387-A2 | NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2012-10-31 | — | — | EP | disclosed |