Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.71 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.58 |
| ▸ | GHSR | Q92847 | 2/20 | 0.56 |
| ▸ | AHR | P35869 | 4/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.52 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.52 |
| ▸ | ITGAL | P20701 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | ADK | P55263 | 1/20 | 0.52 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.52 |
| ▸ | CMA1 | P23946 | 1/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL443799 | 1.00 | NPC1 (0.71) | NPC1ADORA2AADORA1GHSRAHR | |
| SCHEMBL7088159 | 0.96 | NPC1 (0.67) | NPC1ADORA2AADORA1GHSRAHR | |
| SCHEMBL7084471 | 0.86 | NPC1 (0.58) | NPC1ADORA2AADORA1GHSRAHR | |
| SCHEMBL7091322 | 0.86 | NPC1 (0.54) | NPC1ADORA2AADORA1GHSRAHR | |
| SCHEMBL446619 | 0.83 | NPC1 (1.00) | NPC1AHRTRPA1CA1CA2 | |
| SCHEMBL30587350 | 0.83 | NPC1 (1.00) | NPC1AHRTRPA1CA1CA2 | |
| Quinoline SCHEMBL27740778 | 0.83 | NPC1 (0.51) | NPC1ADORA2AADORA1GHSRAHR | |
| Biphenyl SCHEMBL27962709 | 0.82 | AHR (0.78) | NPC1ADORA2AADORA1GHSRAHR | |
| SCHEMBL24601496 | 0.82 | NPC1 (0.50) | NPC1ADORA2AADORA1GHSRAHR | |
| SCHEMBL1225643 | 0.82 | TYR (0.70) | NPC1AHRFGFR1CMA1TYR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4447954-A1 | HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS | Icahn School of Medicine at Mount Sinai (US) | 2024-10-23 | — | — | EP | disclosed |
| CN-115806493-B | Method for synthesizing epstein chiral intermediate by asymmetric hydrogenation | 南京工业大学 | 2024-03-22 | — | — | CN | disclosed |
| WO-2023114472-A1 | HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2023-06-22 | — | — | WO | disclosed |
| CN-115806493-A | Method for synthesizing chiral ebavir intermediate by asymmetric hydrogenation | 南京工业大学 | 2023-03-17 | — | — | CN | disclosed |