Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CTH | P32929 | 1/20 | 0.32 |
| ▸ | CBS | P35520 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.30 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.30 |
| ▸ | PTGIR | P43119 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6965399 | 0.94 | EPHX2 (0.37) | TSHREPHX2CYP2C19SLC1A2MEN1 | |
| SCHEMBL3848957 | 0.86 | — | — | |
| SCHEMBL6964936 | 0.84 | CES2 (0.33) | TSHRSLC1A2MEN1KMT2ACES2 | |
| SCHEMBL6965396 | 0.78 | CES2 (0.36) | TSHRCES2 | |
| SCHEMBL25375580 | 0.78 | TSHR (0.48) | TSHREPHX2CYP2C19MEN1KMT2A | |
| SCHEMBL10001230 | 0.78 | CES2 (0.46) | TSHREPHX2CYP2C19CES2CTH | |
| SCHEMBL6971619 | 0.78 | TSHR (0.37) | TSHRMEN1KMT2ACES2 | |
| SCHEMBL22922080 | 0.76 | CES2 (0.44) | TSHREPHX2CYP2C19CES2CTH | |
| SCHEMBL23405410 | 0.76 | CES2 (0.44) | TSHREPHX2CYP2C19CES2CTH | |
| SCHEMBL7713583 | 0.76 | CES2 (0.50) | TSHREPHX2CYP2C19CES2CTH |
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-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |