Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 9/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5230505 | 0.81 | ADORA2B (0.66) | ALDH1A1ADORA2BADORA2AKDM4EMEN1 | |
| SCHEMBL30682457 | 0.75 | ADORA2B (0.70) | ALDH1A1TSHRADORA2BADORA2AKDM4E | |
| SCHEMBL30682506 | 0.75 | ADORA2B (0.70) | ALDH1A1TSHRADORA2BADORA2AKDM4E | |
| SCHEMBL14345858 | 0.74 | ADORA2B (0.58) | ALDH1A1TSHRADORA2BADORA2AKDM4E | |
| SCHEMBL30682533 | 0.73 | ADORA2A (0.80) | ALDH1A1TSHRADORA2BADORA2AKDM4E | |
| SCHEMBL30682536 | 0.73 | ADORA2A (0.80) | ALDH1A1TSHRADORA2BADORA2AKDM4E | |
| SCHEMBL30682607 | 0.72 | ADORA2B (0.61) | ALDH1A1TSHRADORA2BADORA2AKDM4E | |
| SCHEMBL6092448 | 0.72 | POLB (0.48) | ADORA2BADORA2AADORA1 | |
| SCHEMBL6093879 | 0.71 | ADORA1 (0.39) | ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL6093117 | 0.71 | PDE2A (0.44) | ADORA2BADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1092435-B1 | REMEDIES FOR DIABETES | KYOWA HAKKO KOGYO KK (JP) | 2007-04-04 | — | — | EP | disclosed |
| US-6489331-B1 | A CONDENSED PURINE DERIVATIVE AS AN ACTIVE INGREDIENT AS AN ENHANCER OF INSULIN SECRETION AND A MEDICAMENT FOR THE TREATMENT OF DIABETES | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2002-12-03 | — | — | US | disclosed |
| EP-1092435-A1 | REMEDIES FOR DIABETES | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2001-04-18 | — | — | EP | disclosed |