Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 7/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1990420 | 0.76 | PDE10A (0.36) | TRPV4KDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL1992226 | 0.76 | ALDH1A1 (0.40) | TRPV4KDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL1996822 | 0.76 | ALDH1A1 (0.54) | TRPV4KDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL1991408 | 0.76 | TRPV4 (0.34) | TRPV4KDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL1989787 | 0.75 | KCNH2 (0.38) | TRPV4KDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL1991165 | 0.75 | KDM4E (0.40) | TRPV4KDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL1993836 | 0.75 | TRPV4 (0.38) | TRPV4KDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL1990180 | 0.75 | ALDH1A1 (0.53) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL5442053 | 0.75 | TRPV4 (0.46) | TRPV4KDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL1990566 | 0.73 | ALDH1A1 (0.44) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 |
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-1866310-B1 | 2,3-SUBSTITUTED FUSED PYRIMIDIN-4(3H)-ONES AS VR1 ANTAGONISTS | MERCK SHARP & DOHME (GB) | 2012-07-11 | — | — | EP | disclosed |