Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL289811 | 0.74 | EGFR (0.50) | HPGDNPC1RAB9AALDH1A1MAPT | |
| SCHEMBL5514907 | 0.74 | CES2 (0.44) | CES2CES1LCKFYNDAO | |
| SCHEMBL5774143 | 0.71 | HTT (0.40) | HPGDALDH1A1MEN1LMNAKMT2A | |
| SCHEMBL5185723 | 0.71 | MAOA (0.41) | CES2CES1HDAC1HPGDNPC1 | |
| SCHEMBL8804423 | 0.69 | NPC1 (0.37) | CES2CES1LCKFYNDAO | |
| SCHEMBL6026523 | 0.69 | KDM4E (0.43) | ALDH1A1KDM4E | |
| SCHEMBL290340 | 0.69 | CES2 (0.46) | CES2CES1HDAC1HPGDALDH1A1 | |
| SCHEMBL4777431 | 0.69 | MAOA (0.45) | CES2CES1DAOHDAC1HPGD | |
| SCHEMBL5776042 | 0.69 | NOS1 (0.42) | ALDH1A1MEN1KMT2A | |
| SCHEMBL8865574 | 0.69 | CES2 (0.56) | CES2CES1LCKFYNDAO |
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-1558607-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004041813-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-05-21 | — | — | WO | disclosed |