Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.58 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | KLK1 | P06870 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9328936 | 0.85 | ADORA3 (0.42) | ADORA3ADORA2BLMNANPC1ADORA1 | |
| SCHEMBL23840696 | 0.78 | ADORA3 (0.64) | ADORA3ADORA2BLMNANPC1RAB9A | |
| SCHEMBL30596777 | 0.75 | KDM4E (0.41) | ADORA3ADORA2BLMNANPC1ADORA1 | |
| SCHEMBL30596780 | 0.75 | KDM4E (0.41) | ADORA3ADORA2BLMNANPC1ADORA1 | |
| SCHEMBL9327253 | 0.74 | ADORA2A (0.48) | ADORA3ADORA2BADORA1ADORA2AALDH1A1 | |
| SCHEMBL9264847 | 0.74 | ADORA3 (1.00) | ADORA3ADORA2BADORA1ADORA2AKDM4E | |
| SCHEMBL23291195 | 0.74 | ADORA3 (0.58) | ADORA3ADORA2BLMNANPC1RAB9A | |
| SCHEMBL9327189 | 0.73 | ADORA3 (0.61) | ADORA3ADORA2BNPC1RAB9AADORA1 | |
| SCHEMBL7749219 | 0.73 | ADORA3 (0.57) | ADORA3ADORA2BLMNANPC1RAB9A | |
| SCHEMBL9328272 | 0.72 | ADORA3 (0.47) | ADORA3ADORA2BNPC1RAB9AADORA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5356894-A | Adenosine antagonists | SYNGENTA LIMITED (GB) | 1994-10-18 | — | — | US | disclosed |
| US-5270311-A | [1,2,4]-Triazolo[1,5-a]and pyrazolo[2,3-a][1,3,5]triazine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-12-14 | — | — | US | disclosed |
| EP-0459702-A1 | Azole Derivatives | ZENECA LIMITED (GB) | 1991-12-04 | — | — | EP | disclosed |