Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.63 |
| ▸ | RAB9A | P51151 | 4/20 | 0.63 |
| ▸ | CES2 | O00748 | 1/20 | 0.62 |
| ▸ | CES1 | P23141 | 1/20 | 0.62 |
| ▸ | PARP1 | P09874 | 1/20 | 0.58 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.58 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.58 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4958740 | 0.83 | NPC1 (0.68) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL1982248 | 0.81 | NPC1 (0.56) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL27512587 | 0.81 | NPC1 (0.66) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL1790008 | 0.79 | NPC1 (0.63) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL4971524 | 0.79 | PRSS1 (0.69) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL29589944 | 0.79 | CES2 (0.74) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL9281761 | 0.79 | CES2 (0.62) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL52445 | 0.79 | CES2 (0.74) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL30854918 | 0.79 | NPC1 (0.63) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL28126653 | 0.79 | CES2 (0.74) | NPC1RAB9ACES2CES1PARP1 |
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-1824952-B1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2010-04-28 | — | — | EP | claimed |