Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.53 |
| ▸ | RAB9A | P51151 | 6/20 | 0.53 |
| ▸ | CASP3 | P42574 | 2/20 | 0.53 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2430190 | 0.82 | NPC1 (0.53) | NPC1RAB9ACASP3SENP7KMT2A | |
| SCHEMBL2430174 | 0.82 | NPC1 (0.53) | NPC1RAB9ACASP3SENP7KMT2A | |
| SCHEMBL2493258 | 0.82 | NPC1 (0.53) | NPC1RAB9ACASP3SENP7KMT2A | |
| SCHEMBL2425567 | 0.82 | NPC1 (0.53) | NPC1RAB9ACASP3SENP7KMT2A | |
| SCHEMBL2427296 | 0.76 | PIM1 (0.48) | NPC1RAB9ACASP3SENP7KMT2A | |
| SCHEMBL6777206 | 0.74 | NPC1 (0.55) | NPC1RAB9ACASP3SENP7CYP11B1 | |
| SCHEMBL2430853 | 0.72 | ALDH1A1 (0.48) | NPC1RAB9AKMT2ACYP1A2CYP3A4 | |
| SCHEMBL2430961 | 0.72 | ALDH1A1 (0.49) | NPC1RAB9ACASP3SENP7KMT2A | |
| SCHEMBL9939347 | 0.72 | KDM4E (0.51) | NPC1RAB9AKMT2ACYP1A2KDM4E | |
| SCHEMBL29853535 | 0.70 | NPC1 (0.52) | NPC1RAB9ACASP3SENP7KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2542239-A1 | USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME | Université Joseph Fourier (FR) | 2013-01-09 | — | — | EP | disclosed |
| WO-2011107709-A1 | USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME | UNIVERSITE JOSEPH FOURIER (FR) | 2011-09-09 | — | — | WO | disclosed |