Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3813432 | 0.92 | SIGMAR1 (0.39) | KDM4ECYP2D6CYP2C19NPC1RAB9A | |
| SCHEMBL2417654 | 0.88 | NPC1 (0.47) | KDM4ECYP2D6CYP2C19NPC1RAB9A | |
| SCHEMBL28311166 | 0.87 | KDM4E (0.41) | KDM4ECYP2D6CYP2C19NPC1RAB9A | |
| SCHEMBL618251 | 0.84 | GPR119 (0.46) | KDM4ECYP2D6CYP2C19GAA | |
| SCHEMBL3809714 | 0.82 | KDM4E (0.37) | KDM4ECYP2D6CYP2C19MAPTSMN1; SMN2 | |
| SCHEMBL619527 | 0.81 | KDM4E (0.41) | KDM4ECYP2D6CYP2C19NPC1RAB9A | |
| SCHEMBL3813434 | 0.81 | MCHR1 (0.42) | CYP2C19CTSSKMT2AMEN1CYP1A2 | |
| Tert-Butyl Formate SCHEMBL28311167 | 0.79 | HPGD (0.35) | KDM4ECYP2D6CYP2C19CTSSNPC1 | |
| SCHEMBL28311171 | 0.79 | ALDH1A1 (0.41) | KDM4ECYP2D6CYP2C19RAB9AKMT2A | |
| SCHEMBL28875444 | 0.77 | CHRNB4 (0.42) | KDM4ECYP2D6CYP2C19KMT2AALDH1A1 |
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-2062050-A2 | MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH | Senomyx, Inc. (US) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008154221-A2 | MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH | SENOMYX, INC. (US) | 2008-12-18 | — | — | WO | disclosed |