Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL277284 | 0.88 | CYP2C19 (0.86) | CYP2C19CYP2C9SMN1; SMN2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL9679507 | 0.86 | CYP2C19 (0.83) | CYP2C19CYP2C9SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL28328600 | 0.85 | CYP2C19 (0.75) | CYP2C19CYP2C9SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL5485762 | 0.84 | CA12 (0.58) | CYP2C19CYP2C9SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL4405655 | 0.84 | CYP2C19 (0.65) | CYP2C19CYP2C9SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL2112657 | 0.81 | CYP2C19 (1.00) | CYP2C19CYP2C9SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL158686 | 0.81 | CYP2C19 (0.70) | CYP2C19CYP2C9SMN1; SMN2MAPTPOLB | |
| SCHEMBL29597594 | 0.81 | CYP2C19 (0.70) | CYP2C19CYP2C9SMN1; SMN2MAPTPOLB | |
| Hydrochloric Acid SCHEMBL3334480 | 0.80 | CYP2C19 (0.73) | CYP2C19CYP2C9SMN1; SMN2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL3336664 | 0.80 | CYP2C19 (0.97) | CYP2C19CYP2C9SMN1; SMN2ALDH1A1MAPT |
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-1959951-B1 | HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | EP | disclosed |