Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | PDE5A | O76074 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TYRO3 | Q06418 | 7/20 | 0.43 |
| ▸ | MERTK | Q12866 | 7/20 | 0.43 |
| ▸ | GAS6 | Q14393 | 6/20 | 0.43 |
| ▸ | FLT3 | P36888 | 4/20 | 0.43 |
| ▸ | SIRT5 | Q9NXA8 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | AXL | P30530 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11291078 | 1.00 | RAB9A (0.49) | RAB9ANPSR1PDE5APDE4BADORA3 | |
| SCHEMBL11088449 | 0.99 | RAB9A (0.50) | RAB9ANPSR1PDE5APDE4BADORA3 | |
| SCHEMBL11083131 | 0.95 | RAB9A (0.51) | RAB9ANPSR1PDE5APDE4BADORA3 | |
| Pyrimidine SCHEMBL11086817 | 0.92 | RAB9A (0.46) | RAB9ANPSR1PDE5APDE4BADORA3 | |
| SCHEMBL11090716 | 0.90 | RAB9A (0.53) | RAB9ANPSR1PDE5APDE4BNPC1 | |
| SCHEMBL11087547 | 0.86 | ALDH1A1 (0.51) | RAB9ANPSR1PDE5APDE4BADORA3 | |
| SCHEMBL11081740 | 0.84 | HCAR3 (0.47) | ADORA3ADORA2AADORA1TYRO3MERTK | |
| SCHEMBL11082898 | 0.84 | HCAR3 (0.47) | ADORA3ADORA2AADORA1TYRO3MERTK | |
| SCHEMBL11091988 | 0.84 | ALDH1A1 (0.59) | RAB9ANPSR1ADORA3ADORA2AADORA1 | |
| SCHEMBL11081631 | 0.83 | HCAR3 (0.48) | ADORA3ADORA2AADORA1TYRO3MERTK |
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 |
|---|---|---|---|---|---|---|---|
| US-4447422-A | Penicillins and compositions containing them | BEECHAM GROUP P.1.C. (GB) | 1984-05-08 | — | — | US | disclosed |
| EP-0067610-A1 | Penicillins, a process for their preparation and compositions containing them | BEECHAM GROUP PLC (GB) | 1982-12-22 | — | — | EP | disclosed |