Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | F12 | P00748 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TSPO | P30536 | 1/20 | 0.37 |
| ▸ | KLK7 | P49862 | 1/20 | 0.36 |
| ▸ | KLK14 | Q9P0G3 | 1/20 | 0.36 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.36 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.36 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6871681 | 0.88 | ADORA2A (0.51) | ADORA2AHSD17B10KDM4EF2KMT2A | |
| SCHEMBL6867466 | 0.82 | ADORA2A (0.49) | ADORA2AHSD17B10KDM4EHPGDTSPO | |
| SCHEMBL6868330 | 0.79 | ADORA2A (0.45) | ADORA2AHSD17B10F2KMT2ACYP1A2 | |
| SCHEMBL6870143 | 0.79 | ADORA2A (0.65) | ADORA2AKDM4EKMT2AHPGDMAPT | |
| SCHEMBL6863381 | 0.79 | ADORA2A (0.46) | ADORA2AHSD17B10KDM4EHPGDMAPT | |
| SCHEMBL6872977 | 0.78 | ADORA2A (0.51) | ADORA2AHSD17B10KDM4EF2KMT2A | |
| SCHEMBL6866915 | 0.77 | PSMB5 (0.51) | ADORA2AHSD17B10KDM4EF2KMT2A | |
| SCHEMBL6871922 | 0.73 | CYP19A1 (0.54) | HSD17B10KDM4EF2KMT2ACYP1A2 | |
| SCHEMBL6863310 | 0.72 | ADORA2A (0.64) | ADORA2AHSD17B10F2HPGDF12 | |
| SCHEMBL6871512 | 0.72 | KMT2A (0.49) | ADORA2AHSD17B10F2KMT2ACYP1A2 |
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-1347974-B1 | AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |