Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 10/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | IDH1 | O75874 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24092043 | 0.81 | L3MBTL1 (0.47) | S1PR1S1PR3NPC1RAB9AIDH1 | |
| SCHEMBL24800004 | 0.79 | NOTUM (0.49) | S1PR1NPC1RAB9ANOTUMLMNA | |
| SCHEMBL22925912 | 0.78 | NOTUM (0.61) | S1PR1S1PR3NOTUMSIRT2LMNA | |
| SCHEMBL24800013 | 0.78 | NPC1 (0.63) | S1PR1S1PR3NPC1RAB9ANOTUM | |
| SCHEMBL20853053 | 0.78 | IDH1 (0.47) | S1PR1S1PR3NPC1RAB9AIDH1 | |
| SCHEMBL27987495 | 0.77 | KDM4E (0.49) | NPC1RAB9AIDH1CYP11B1CYP11B2 | |
| SCHEMBL21744244 | 0.73 | CYP11B2 (0.56) | IDH1CYP11B1CYP11B2 | |
| SCHEMBL24799621 | 0.71 | IDH1 (0.40) | S1PR1S1PR3NPC1RAB9AIDH1 | |
| SCHEMBL3582149 | 0.70 | COMT (0.49) | S1PR1S1PR3NPC1RAB9A | |
| SCHEMBL28281970 | 0.69 | IDH1 (0.43) | NPC1RAB9AIDH1CYP11B1CYP11B2 |
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-3684357-B1 | HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME LLC (US) | 2022-12-28 | — | — | EP | disclosed |