Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL374864 | 0.87 | MDM2 (0.45) | HRH3TAAR1MDM2CYP2C9ALOX15 | |
| SCHEMBL201692 | 0.85 | NPC1 (0.57) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL19259251 | 0.84 | HPGD (0.40) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL4583688 | 0.84 | ALOX15 (0.55) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL6066009 | 0.83 | SLC6A4 (0.44) | HRH3MDM2CYP2C9ALOX15HSD17B10 | |
| SCHEMBL27977349 | 0.83 | NPC1 (0.55) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL28031372 | 0.83 | NPC1 (0.55) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL28215541 | 0.83 | NPC1 (0.55) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL6314093 | 0.83 | HTT (0.50) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL11746409 | 0.82 | MDM2 (0.40) | MAPK1HTTHRH3TAAR1MDM2 |
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-1996022769-A1 | METHOD FOR TREATING MULTIPLE SCLEROSIS | ELI LILLY AND COMPANY (US) | 1996-08-01 | — | — | WO | disclosed |