Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | BRD4 | O60885 | 1/20 | 0.56 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.51 |
| ▸ | CACNG8 | Q8WXS5 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 3/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | F7 | P08709 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | F3 | P13726 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24601573 | 0.87 | BRD4 (0.58) | NPC1BRD4CA12CA1CA2 | |
| SCHEMBL31504070 | 0.81 | NPC1 (0.61) | NPC1BRD4CA12CA1CA2 | |
| SCHEMBL22178774 | 0.81 | NPC1 (0.61) | NPC1BRD4CA12CA1CA2 | |
| SCHEMBL9900456 | 0.80 | NPC1 (0.59) | NPC1BRD4CA12CA1CA2 | |
| SCHEMBL9231655 | 0.79 | NPC1 (0.68) | NPC1BRD4CA12CA1CA2 | |
| SCHEMBL5850255 | 0.78 | NPC1 (0.79) | NPC1BRD4CA12CA1CA2 | |
| SCHEMBL3450552 | 0.77 | FFAR1 (0.52) | — | |
| SCHEMBL24720515 | 0.77 | GUSB (0.50) | NPC1BRD4PTGS2USP2GAA | |
| SCHEMBL13680569 | 0.76 | NPC1 (0.54) | NPC1BRD4CA12CA1CA2 | |
| SCHEMBL10094661 | 0.76 | GRM1 (0.51) | NPC1BRD4ADORA2AADORA1FYN |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0674620-A1 | TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-10-04 | — | — | EP | disclosed |
| WO-1994014771-A1 | TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-07-07 | — | — | WO | disclosed |