Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.55 |
| ▸ | NSD2 | O96028 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 4/20 | 0.49 |
| ▸ | DRD3 | P35462 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | FADS1 | O60427 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3551042 | 0.95 | ALOX5 (0.59) | ALOX5NSD2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL16705239 | 0.82 | NSD2 (0.64) | ALOX5NSD2DRD2DRD3KCNH2 | |
| SCHEMBL2518608 | 0.81 | ALDH1A1 (0.59) | ALOX5ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4586702 | 0.81 | ALDH1A1 (0.51) | ALDH1A1HPGDMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL75924 | 0.78 | HPGD (0.58) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL1584246 | 0.77 | DRD2 (0.57) | ALOX5NSD2DRD2DRD3KCNH2 | |
| SCHEMBL4049099 | 0.77 | PIK3CD (0.53) | ALOX5NSD2DRD2DRD3KCNH2 | |
| SCHEMBL3912626 | 0.77 | NSD2 (0.55) | ALOX5NSD2ALDH1A1HPGDDRD2 | |
| SCHEMBL12493670 | 0.76 | HPGD (0.56) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL21805910 | 0.76 | ALDH1A1 (0.56) | ALOX5ALDH1A1CYP1A2CYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101321525-B | Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors | HOFFMANN LA ROCHE | 2013-01-30 | — | — | CN | disclosed |
| EP-1959951-B1 | HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | EP | disclosed |
| CN-101321525-A | Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors | HOFFMANN LA ROCHE (CH) | 2008-12-10 | — | — | CN | disclosed |