Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.54 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.54 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CASR | P41180 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SMO | Q99835 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10613785 | 0.83 | CASR (0.66) | ROCK2ROCK1PRMT3BCAT2NPC1 | |
| SCHEMBL6567231 | 0.80 | MEN1 (0.50) | DHODHSMO | |
| SCHEMBL10533807 | 0.80 | CNR1 (0.60) | ROCK2ROCK1PRMT3BCAT2NPC1 | |
| SCHEMBL6568657 | 0.80 | BCAT2 (0.50) | BCAT2NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL4350061 | 0.78 | MTOR (0.55) | ROCK2ROCK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4342381 | 0.77 | KMT2A (0.68) | NPC1RAB9ASMN1; SMN2KDM4ETAAR1 | |
| SCHEMBL4351106 | 0.76 | CNR1 (0.68) | ROCK2ROCK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6568451 | 0.74 | KDM4E (0.69) | ROCK2ROCK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6566906 | 0.73 | POLB (0.66) | SMN1; SMN2KDM4ELMNADHODHL3MBTL1 | |
| SCHEMBL4512704 | 0.73 | ROCK2 (0.64) | ROCK2ROCK1PRMT3BCAT2NPC1 |
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-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |