Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.56 |
| ▸ | HPGD | P15428 | 6/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 8/20 | 0.53 |
| ▸ | MEN1 | O00255 | 5/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL23822833 | 0.88 | MAPK1 (0.48) | NPC1HPGDALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL23822823 | 0.85 | HSD17B10 (0.70) | NPC1HPGDALDH1A1RAB9AMEN1 | |
| SCHEMBL23822829 | 0.85 | RAB9A (0.52) | NPC1HPGDALDH1A1RAB9AMEN1 | |
| SCHEMBL23823000 | 0.84 | HIF1A (0.72) | NPC1HPGDRAB9AKMT2AHIF1A | |
| SCHEMBL23822917 | 0.83 | HIF1A (0.56) | NPC1HPGDALDH1A1RAB9AKMT2A | |
| SCHEMBL23822832 | 0.81 | HIF1A (0.51) | NPC1HPGDALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL21361937 | 0.80 | HPGD (0.70) | NPC1HPGDALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL15001253 | 0.80 | RAB9A (0.65) | NPC1HPGDALDH1A1RAB9AMEN1 | |
| SCHEMBL23822836 | 0.79 | HIF1A (0.57) | NPC1HPGDALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL23822834 | 0.78 | HIF1A (0.56) | NPC1HPGDALDH1A1CYP1A2CYP2C19 |
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-2021183937-A1 | SUBSTITUTED ISOXAZOLES AS SELECTIVE NAV1.7 INHIBITORS FOR PAIN TREATMENT AND METHOD OF PAIN TREATMENT | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2021-09-16 | — | — | WO | disclosed |