Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 4/20 | 0.73 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.71 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.71 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.64 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.64 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 1/20 | 0.64 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL8908840 | 1.00 | ADORA1 (0.73) | ADORA1ADORA3ADORA2ATP53CYP3A4 | |
| SCHEMBL8909506 | 0.91 | ADORA1 (0.81) | ADORA1ADORA3ADORA2ATP53CYP3A4 | |
| SCHEMBL9404515 | 0.91 | ADORA1 (0.81) | ADORA1ADORA3ADORA2ATP53CYP3A4 | |
| SCHEMBL8910253 | 0.86 | ADORA1 (0.72) | ADORA1ADORA3ADORA2ATP53ADORA2B | |
| SCHEMBL9404423 | 0.86 | ADORA1 (0.72) | ADORA1ADORA3ADORA2ATP53ADORA2B | |
| SCHEMBL3847109 | 0.86 | ADORA1 (0.68) | ADORA1ADORA3ADORA2A | |
| SCHEMBL8910803 | 0.86 | ADORA1 (0.68) | ADORA1ADORA3ADORA2A | |
| SCHEMBL9404414 | 0.86 | ADORA1 (0.68) | ADORA1ADORA3ADORA2A | |
| SCHEMBL3847115 | 0.86 | ADORA1 (0.68) | ADORA1ADORA3ADORA2A | |
| SCHEMBL8909117 | 0.86 | ADORA1 (0.68) | ADORA1ADORA3ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5672588-A | Purine derivatives | NOVO NORDISK A/S (DK) | 1997-09-30 | — | — | US | claimed |
| US-5672588-A | Purine derivatives | NOVO NORDISK A/S (DK) | 1997-09-30 | — | — | US | disclosed |
| EP-0603348-A1 | PURINE DERIVATIVES | NOVO NORDISK A/S (DK) | 1994-06-29 | — | — | EP | disclosed |
| WO-1993023418-A1 | PURINE DERIVATIVES | NOVO NORDISK A/S (DK) | 1993-11-25 | — | — | WO | disclosed |