Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GSR | P00390 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4395018 | 0.98 | ENPP2 (0.45) | ENPP2PTGS2CA1CA2CA9 | |
| SCHEMBL4095461 | 0.82 | ENPP2 (0.48) | ENPP2PTGS2KMT2AGSRAKR1C3 | |
| SCHEMBL2849627 | 0.78 | MPO (0.39) | CA1CA2CA9 | |
| SCHEMBL1364623 | 0.78 | CA2 (0.69) | CA1CA2CA9KMT2AGSR | |
| SCHEMBL1818606 | 0.78 | PRSS1 (0.58) | ENPP2PTGS2GRIN2B | |
| Hydrochloric Acid SCHEMBL4176794 | 0.76 | PRSS1 (0.56) | ENPP2PTGS2GSRGRIN2B | |
| SCHEMBL5595197 | 0.74 | PTGS2 (0.54) | PTGS2CA1CA2CA9KMT2A | |
| SCHEMBL4854992 | 0.74 | PTGS2 (0.54) | PTGS2CA1CA2CA9KMT2A | |
| Hydrochloric Acid SCHEMBL1823037 | 0.73 | ENPP2 (0.47) | ENPP2PTGS2KMT2AGSRAKR1C3 | |
| SCHEMBL5594333 | 0.73 | FAAH (0.58) | PTGS2KMT2AAKR1C3 |
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 |