Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27584061 | 0.90 | HTR1D (0.46) | HTR1DHTR1BGABRA1GABRB2SLC22A6 | |
| SCHEMBL28031585 | 0.81 | HTR1D (0.43) | HTR1DHTR1BGABRA1GABRB2SLC22A6 | |
| SCHEMBL27751359 | 0.80 | NR4A2 (0.52) | HTR1DHTR1BGABRA1GABRB2SLC22A6 | |
| SCHEMBL28758142 | 0.80 | HTR1B (0.49) | HTR1DHTR1B | |
| SCHEMBL27800476 | 0.79 | MTNR1A (0.35) | HTR1DHTR1BELANE | |
| SCHEMBL27779441 | 0.78 | HTR1D (0.40) | HTR1DHTR1BSLC22A6ELANE | |
| SCHEMBL27800463 | 0.78 | HTR1D (0.40) | HTR1DHTR1BSLC22A6ELANE | |
| SCHEMBL28785936 | 0.78 | HTR1D (0.33) | HTR1DHTR1BELANE | |
| SCHEMBL27591862 | 0.78 | NR4A2 (0.52) | HTR1DHTR1BGABRA1GABRB2SLC22A6 | |
| SCHEMBL27752468 | 0.78 | HTR1D (0.45) | HTR1DHTR1BGABRA1SLC22A6ELANE |
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 2 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-1617871-A | Purine derivatives as purinergic receptor antagonists | VERNALIS RES LTD (GB) | 2005-05-18 | — | — | CN | disclosed |