Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 8/20 | 0.39 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ROS1 | P08922 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1855079 | 0.92 | CYP3A4 (0.49) | KDM4EMAPKAPK2HTTCYP3A4LMNA | |
| SCHEMBL6270172 | 0.76 | ALDH1A1 (0.62) | KDM4EMAPKAPK2HTTCYP3A4LMNA | |
| SCHEMBL31177936 | 0.76 | ALDH1A1 (0.62) | KDM4EMAPKAPK2HTTCYP3A4LMNA | |
| SCHEMBL10289918 | 0.74 | CYP3A4 (0.53) | KDM4EMAPKAPK2HTTCYP3A4LMNA | |
| SCHEMBL5186996 | 0.73 | CYP3A4 (0.53) | KDM4EMAPKAPK2HTTCYP3A4LMNA | |
| SCHEMBL4019717 | 0.73 | CYP3A4 (0.41) | KDM4ECYP3A4CYP1A2TRPV1MAPK1 | |
| SCHEMBL30032605 | 0.73 | CYP3A4 (0.39) | KDM4EHTTCYP3A4CYP1A2CYP2D6 | |
| Alpha-Naphthylisocyanate SCHEMBL374 | 0.71 | CYP1A2 (0.64) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Alpha-Naphthylisocyanate SCHEMBL29400034 | 0.71 | CYP1A2 (0.64) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17040876 | 0.71 | KDM4E (0.55) | KDM4EMAPKAPK2HTTCYP3A4LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1660455-A1 | FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR | ABBOTT LABORATORIES (US) | 2006-05-31 | — | — | EP | disclosed |
| WO-2005016890-A1 | FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR | ABBOTT LABORATORIES (US) | 2005-02-24 | — | — | WO | disclosed |
| EP-1478363-A1 | FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR | Abbott Laboratories (US) | 2004-11-24 | — | — | EP | disclosed |
| WO-2003070247-A1 | FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR | ABBOTT LABORATORIES (US) | 2003-08-28 | — | — | WO | disclosed |