Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.58 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | BRD4 | O60885 | 1/20 | 0.54 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL22761435 | 0.84 | NPC1 (0.56) | NPC1RAB9ANR1H4NPSR1CASP3 | |
| SCHEMBL26096204 | 0.82 | NR1H4 (0.70) | NPC1RAB9ANR1H4NPSR1CASP3 | |
| SCHEMBL22925912 | 0.82 | NOTUM (0.61) | NOTUMCASP3SMN1; SMN2S1PR1HDAC1 | |
| SCHEMBL15219436 | 0.81 | L3MBTL1 (0.70) | NPC1RAB9ANR1H4NPSR1CASP3 | |
| SCHEMBL11915987 | 0.79 | NR1H4 (0.59) | NPC1RAB9ANR1H4NPSR1CASP3 | |
| SCHEMBL22637447 | 0.79 | DPP4 (0.62) | NPC1RAB9ANR1H4NPSR1CASP3 | |
| SCHEMBL16088928 | 0.79 | DPP4 (0.62) | NPC1RAB9ANR1H4NPSR1CASP3 | |
| SCHEMBL24800020 | 0.78 | S1PR1 (0.49) | NPC1RAB9ANOTUMS1PR1S1PR3 | |
| SCHEMBL20853360 | 0.78 | NPC1 (0.59) | NPC1RAB9ANR1H4NPSR1CASP3 | |
| SCHEMBL11919088 | 0.78 | NR1H4 (0.57) | NPC1RAB9ANR1H4NPSR1CASP3 |
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 |