Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 7/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6971614 | 0.89 | ALDH1A1 (0.32) | ALDH1A1TSHR | |
| SCHEMBL27383900 | 0.84 | ALDH1A1 (0.39) | ALDH1A1TSHRHPGDATMESR1 | |
| SCHEMBL6965392 | 0.80 | ALDH1A1 (0.38) | ALDH1A1TSHRHPGDATMESR1 | |
| SCHEMBL6875291 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TSHRHPGDATMESR1 | |
| SCHEMBL10835763 | 0.69 | ALDH1A1 (0.52) | ALDH1A1TSHRHPGDATMESR1 | |
| SCHEMBL27894684 | 0.68 | ALDH1A1 (0.50) | ALDH1A1TSHRHPGDATMESR1 | |
| SCHEMBL6964932 | 0.68 | TDP1 (0.31) | TDP1 | |
| SCHEMBL10804132 | 0.67 | TSHR (0.39) | ALDH1A1TSHRATMCYP2C19CYP3A4 | |
| SCHEMBL27588980 | 0.67 | — | — | |
| SCHEMBL11444885 | 0.67 | ALDH1A1 (0.48) | ALDH1A1TSHRHPGDATMESR1 |
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 |