Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL22802078 | 0.75 | ADRA1A (0.37) | ROCK1ALDH1A1LMNANPC1RAB9A | |
| SCHEMBL3239758 | 0.74 | ROCK1 (0.61) | ROCK1ALDH1A1HPGDTP53LMNA | |
| SCHEMBL29721693 | 0.74 | ROCK1 (0.61) | ROCK1ALDH1A1HPGDTP53LMNA | |
| SCHEMBL3037627 | 0.74 | ROCK1 (0.47) | ROCK1ALDH1A1LMNAMAPK1NPC1 | |
| Hydrochloric Acid SCHEMBL27693256 | 0.73 | ROCK1 (0.59) | ROCK1ALDH1A1HPGDTP53LMNA | |
| SCHEMBL1018884 | 0.72 | ALDH1A1 (0.53) | ROCK1ALDH1A1HPGDTP53RAB9A | |
| SCHEMBL29721478 | 0.71 | ROCK1 (0.62) | ROCK1ALDH1A1HPGDTP53LMNA | |
| SCHEMBL6071629 | 0.71 | ROCK1 (0.62) | ROCK1ALDH1A1HPGDTP53LMNA | |
| SCHEMBL27742477 | 0.71 | ALOX15 (0.49) | ROCK1ALDH1A1HPGDTP53LMNA | |
| SCHEMBL9210224 | 0.71 | TP53 (0.48) | ROCK1ALDH1A1HPGDTP53LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007075931-A2 | REACTIVE HETEROCYCLIC DERIVATIVES AND METHODS FOR THEIR SYNTHESIS AND USE | BIOSITE INCORPORATED (US) | 2007-07-05 | — | — | WO | disclosed |