Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 2/20 | 0.45 |
| ▸ | KMO | O15229 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9852272 | 0.79 | ADORA3 (0.66) | NPC1RAB9AADORA1ADORA3ADORA2A | |
| SCHEMBL25736155 | 0.79 | NPC1 (0.49) | NPC1RAB9AADORA1ADORA2AABL1 | |
| SCHEMBL11327119 | 0.77 | ADORA2A (0.62) | ADORA1ADORA3ADORA2AADORA2BKDM4E | |
| SCHEMBL9852187 | 0.76 | ADORA3 (0.55) | ADORA1ADORA3ADORA2AADORA2BKDM4E | |
| SCHEMBL4876779 | 0.75 | ADORA2A (0.55) | NPC1RAB9AADORA1ADORA3ADORA2A | |
| SCHEMBL13659745 | 0.75 | ADORA3 (0.59) | NPC1RAB9AADORA1ADORA3ADORA2A | |
| SCHEMBL4119006 | 0.75 | ABL1 (0.49) | NPC1RAB9AKDM4EMAPTABL1 | |
| SCHEMBL4108840 | 0.75 | ABL1 (0.46) | NPC1RAB9AKDM4EABL1AHR | |
| SCHEMBL9566581 | 0.73 | RAB9A (1.00) | NPC1RAB9AADORA1ADORA3ADORA2A | |
| SCHEMBL4117675 | 0.72 | PPARD (0.45) | NPC1RAB9AABL1AHRKMO |
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-0455356-A1 | Substituted 5-amino-1,2,4-thiadiazoles with pharmaceutical activity | LILLY INDUSTRIES LIMITED (GB) | 1991-11-06 | — | — | EP | disclosed |