Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.62 |
| ▸ | CES1 | P23141 | 1/20 | 0.62 |
| ▸ | PARP1 | P09874 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 4/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.57 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.56 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | PDE4A | P27815 | 1/20 | 0.54 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.54 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.51 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL8937430 | 0.91 | NPC1 (0.56) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL8937425 | 0.91 | NPC1 (0.56) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL8937419 | 0.91 | NPC1 (0.56) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL14034083 | 0.87 | TP53 (0.60) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL4008579 | 0.85 | CES2 (0.61) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL28428039 | 0.85 | CES2 (0.61) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL4008578 | 0.85 | CES2 (0.61) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL8937293 | 0.84 | KMT2A (0.56) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL8937295 | 0.84 | KMT2A (0.56) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL8937298 | 0.84 | KMT2A (0.56) | CES2CES1PARP1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994025427-A1 | ETHANOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1994-11-10 | — | — | WO | disclosed |