Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.50 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.50 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 7/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.46 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.46 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.46 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.46 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8140892 | 0.84 | PKM (0.52) | ALDH1A1HPGDTSHRLMNANPC1 | |
| SCHEMBL792262 | 0.82 | MAPT (0.42) | ALDH1A1HPGDLMNANPC1RAB9A | |
| SCHEMBL13286265 | 0.82 | CHEK1 (0.42) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL792229 | 0.80 | CHEK1 (0.41) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13286254 | 0.79 | CHEK1 (0.39) | HPGDTSHRLMNA | |
| SCHEMBL792246 | 0.79 | F10 (0.44) | ALDH1A1LMNANPC1RAB9APRKAB2 | |
| SCHEMBL22575179 | 0.77 | SMN1; SMN2 (0.41) | ALDH1A1HPGDTSHRLMNANPC1 | |
| SCHEMBL6715880 | 0.77 | RARB (0.45) | ALDH1A1TSHRLMNANPC1RAB9A | |
| SCHEMBL27736080 | 0.76 | EGFR (0.53) | ALDH1A1 | |
| SCHEMBL8135917 | 0.76 | ALDH1A1 (0.58) | ALDH1A1IP6K1IP6K3IP6K2HPGD |
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-0888358-A1 | PIPERIDINE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997034901-A1 | PIPERIDINE DERIVATIVES | SMITHKLINE BEECHAM P.L.C. (GB) | 1997-09-25 | — | — | WO | disclosed |