Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | ACHE | P22303 | 4/20 | 0.38 |
| ▸ | FYN | P06241 | 2/20 | 0.38 |
| ▸ | AHR | P35869 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27602088 | 0.84 | ALDH1A1 (0.43) | HPRT1ALDH1A1CYP1A2ACHEFYN | |
| SCHEMBL28113381 | 0.82 | CYP1A2 (0.47) | HPRT1ALDH1A1CYP1A2ACHEFYN | |
| SCHEMBL19067389 | 0.74 | NQO2 (0.55) | ALDH1A1CYP1A2MAPTSLC6A2CYP2C19 | |
| SCHEMBL11665040 | 0.72 | CYP1A2 (0.54) | HPRT1ALDH1A1CYP1A2ACHEFYN | |
| SCHEMBL27682979 | 0.72 | HPRT1 (0.52) | HPRT1ALDH1A1CYP1A2ACHEFYN | |
| SCHEMBL17667969 | 0.71 | CYP1A2 (0.50) | HPRT1ALDH1A1CYP1A2ACHEFYN | |
| SCHEMBL598150 | 0.71 | HSD17B10 (0.44) | HPRT1ALDH1A1CYP1A2ACHEFYN | |
| SCHEMBL4855288 | 0.70 | HPRT1 (0.67) | HPRT1ALDH1A1CYP1A2ACHEFYN | |
| SCHEMBL3701854 | 0.70 | HPRT1 (0.82) | HPRT1ALDH1A1CYP1A2ACHEFYN | |
| SCHEMBL69097 | 0.70 | HPRT1 (0.82) | HPRT1ALDH1A1CYP1A2ACHEFYN |
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 |
|---|---|---|---|---|---|---|---|
| CN-101691370-A | Triazolo[4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists | VERNALIS RES LTD | 2010-04-07 | — | — | CN | disclosed |
| CN-101214248-A | Triazolo[4,5-d] pyrimidine derivatives and their application as purinergic receptor antagonists | VERNALIS RES LTD (GB) | 2008-07-09 | — | — | CN | disclosed |
| CN-1496262-A | Triazolo [4, 5-d ] pyrimidine derivatives and their use as purinergic receptor antagonists | О | 2004-05-12 | — | — | CN | disclosed |