Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.51 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 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 | |
|---|---|---|---|---|
| SCHEMBL16795640 | 0.84 | CES2 (0.56) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL9364978 | 0.82 | CES2 (0.55) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL10723298 | 0.82 | PARP1 (0.56) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL29221472 | 0.81 | ALDH1A1 (0.46) | SMN1; SMN2LMNAABCG2PDE4APDE4B | |
| Hydrochloric Acid SCHEMBL10723123 | 0.81 | PARP1 (0.54) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL28578117 | 0.79 | CES2 (0.51) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL6896118 | 0.79 | CES2 (0.64) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL8552972 | 0.79 | HPGD (0.47) | NPC1RAB9APARP1MAOAMAOB | |
| SCHEMBL341047 | 0.79 | CES2 (0.65) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL15716218 | 0.79 | KDM4E (0.44) | NPC1RAB9APARP1MEN1KMT2A |
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-0861245-A1 | PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997019073-A1 | PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-29 | — | — | WO | disclosed |