Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | HPGD | P15428 | 2/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | MEN1 | O00255 | 6/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.64 |
| ▸ | RAB9A | P51151 | 10/20 | 0.60 |
| ▸ | NPC1 | O15118 | 8/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4394945 | 0.96 | ALDH1A1 (0.62) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL351439 | 0.81 | ALDH1A1 (1.00) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30281223 | 0.81 | ALDH1A1 (1.00) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30281308 | 0.80 | ALDH1A1 (0.80) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4723602 | 0.80 | ALDH1A1 (0.80) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8243731 | 0.78 | ALDH1A1 (0.78) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2645698 | 0.78 | ALDH1A1 (0.78) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20794324 | 0.78 | ALDH1A1 (0.78) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15789002 | 0.78 | ALDH1A1 (0.94) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL743304 | 0.78 | MEN1 (1.00) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 |
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 |