Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.43 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1494244 | 0.91 | TDP1 (0.58) | TDP1HTTPDE7ACYP1A2CYP2C9 | |
| SCHEMBL30038601 | 0.91 | TDP1 (0.58) | TDP1HTTPDE7ACYP1A2CYP2C9 | |
| SCHEMBL28131718 | 0.84 | TDP1 (0.51) | TDP1HTTPDE7ACYP1A2CYP2C9 | |
| SCHEMBL130594 | 0.83 | GAA (0.55) | HTTALDH1A1LMNAMAPTCYP19A1 | |
| Hydrochloric Acid SCHEMBL7274023 | 0.82 | GAA (0.53) | TDP1HTTALDH1A1LMNAMAPT | |
| SCHEMBL30369258 | 0.81 | POLB (0.65) | TDP1PDE7AALDH1A1LMNAMAPT | |
| SCHEMBL10938779 | 0.81 | POLB (0.65) | TDP1PDE7AALDH1A1LMNAMAPT | |
| SCHEMBL4234117 | 0.81 | ALDH1A1 (0.58) | PDE7ACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL1530121 | 0.80 | TDP1 (0.55) | TDP1HTTCYP1A2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL30302276 | 0.80 | POLB (0.62) | TDP1PDE7AALDH1A1LMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1725540-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005095359-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | disclosed |