Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.70 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.67 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.67 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL11555328 | 0.89 | P2RX3 (0.81) | DHFRP2RX3P2RX2HTTMEN1 | |
| SCHEMBL30215873 | 0.83 | P2RX3 (0.73) | DHFRP2RX3P2RX2HTTMEN1 | |
| SCHEMBL1494157 | 0.83 | P2RX3 (0.73) | DHFRP2RX3P2RX2HTTMEN1 | |
| SCHEMBL328871 | 0.83 | P2RX3 (0.72) | DHFRP2RX3P2RX2HTTMEN1 | |
| SCHEMBL11474073 | 0.82 | DHFR (0.78) | DHFRHTTMEN1SLC22A1ALDH1A1 | |
| SCHEMBL11482514 | 0.82 | DHFR (0.60) | DHFRP2RX3P2RX2HTTMEN1 | |
| SCHEMBL9828833 | 0.81 | DHFR (0.69) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL2150191 | 0.81 | P2RX3 (0.70) | DHFRP2RX3P2RX2HTTMEN1 | |
| Ormetoprim SCHEMBL93810 | 0.81 | P2RX3 (0.69) | DHFRP2RX3P2RX2HTTMEN1 | |
| Ormetoprim SCHEMBL29389444 | 0.81 | P2RX3 (0.69) | DHFRP2RX3P2RX2HTTMEN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4033962-A | REACTING A BENZENE WITH AN ACRYLONITRILE AND GUANIDINE, POTENTIATORS OF SULFONAMIDES | HOFFMAN-LA ROCHE INC. (US) | 1977-07-05 | — | — | US | claimed |
| EP-2343282-B1 | Diaminopyrimidines as P2X3 and P2X2/3 antagonists | HOFFMANN LA ROCHE (CH) | 2015-07-22 | — | — | EP | disclosed |
| EP-2343282-A1 | Diaminopyrimidines as P2X3 and P2X2/3 antagonists | F. Hoffmann-La Roche AG (CH) | 2011-07-13 | — | — | EP | disclosed |
| 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 |
| US-4151196-A | POTENTIATORS OF SULFONAMIDES, BACTERICIDES | HOFFMANN-LA ROCHE INC. (US) | 1979-04-24 | — | — | US | disclosed |
| US-4108888-A | REACTING BENZENE DERIVATIVE WITH AN ACRYLONITRILE IN THE PRESENCE OF AN ACID CATALYST | HOFFMANN-LA ROCHE INC. (US) | 1978-08-22 | — | — | US | disclosed |
| US-4033962-A | REACTING A BENZENE WITH AN ACRYLONITRILE AND GUANIDINE, POTENTIATORS OF SULFONAMIDES | HOFFMAN-LA ROCHE INC. (US) | 1977-07-05 | — | — | US | disclosed |