Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 7/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL2359679 | 0.86 | KDM4E (0.47) | KDM4EMAPKAPK2ROCK1LMNACYP1A2 | |
| SCHEMBL4025954 | 0.82 | KDM4E (0.49) | KDM4EMAPKAPK2ROCK1LMNACYP1A2 | |
| SCHEMBL1614544 | 0.80 | SIGMAR1 (0.67) | SIGMAR1 | |
| SCHEMBL11143333 | 0.80 | KDM4E (0.53) | KDM4EMAPKAPK2ROCK1LMNACYP1A2 | |
| SCHEMBL29666490 | 0.80 | SIGMAR1 (0.67) | SIGMAR1 | |
| SCHEMBL28304454 | 0.79 | KDM4E (0.46) | KDM4EMAPKAPK2ROCK1LMNACYP1A2 | |
| SCHEMBL23951754 | 0.75 | SSTR4 (0.41) | ROCK1LMNACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23951463 | 0.75 | SSTR4 (0.41) | ROCK1LMNACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23951752 | 0.75 | SSTR4 (0.41) | ROCK1LMNACYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL23924314 | 0.74 | SSTR4 (0.41) | ROCK1LMNACYP3A4CYP2D6CYP2C9 |
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-1478363-B1 | FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR | ABBOTT LAB (US) | 2009-01-14 | — | — | EP | claimed |