Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.60 |
| ▸ | PRKACA | P17612 | 2/20 | 0.59 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.59 |
| ▸ | GSK3B | P49841 | 2/20 | 0.59 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.54 |
| ▸ | TNF | P01375 | 2/20 | 0.53 |
| ▸ | NOD2 | Q9HC29 | 2/20 | 0.53 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.53 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.53 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.53 |
| ▸ | NOS2 | P35228 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL979443 | 1.00 | HTT (0.60) | HTTCYP1A2CYP2D6CXCR4PRKACA | |
| SCHEMBL20641318 | 0.94 | PRKACA (0.61) | HTTCYP1A2CYP2D6CXCR4PRKACA | |
| SCHEMBL6196564 | 0.89 | PRKACA (0.56) | HTTCYP1A2CYP2D6CXCR4PRKACA | |
| SCHEMBL12598787 | 0.88 | POLB (0.56) | HTTCYP1A2CYP2D6CXCR4PRKACA | |
| SCHEMBL30897344 | 0.80 | PRKACA (0.52) | HTTPRKACARPS6KB1GSK3BROCK1 | |
| SCHEMBL7168778 | 0.80 | LMNA (0.53) | HTTPRKACARPS6KB1GSK3BROCK1 | |
| SCHEMBL13035832 | 0.80 | TNF (0.57) | HTTPRKACARPS6KB1GSK3BROCK1 | |
| SCHEMBL7168780 | 0.80 | LMNA (0.53) | HTTPRKACARPS6KB1GSK3BROCK1 | |
| SCHEMBL15956414 | 0.80 | LMNA (0.53) | HTTPRKACARPS6KB1GSK3BROCK1 | |
| SCHEMBL1708206 | 0.79 | HDAC3 (0.52) | HTTPRKACARPS6KB1GSK3BROCK1 |
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-2440295-A1 | BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS | Janssen Pharmaceutica, N.V. (BE) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010144679-A1 | BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-16 | — | — | WO | disclosed |