Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | HEXA | P06865 | 1/20 | 0.36 |
| ▸ | HEXB | P07686 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL10689261 | 0.91 | FGFR1 (0.33) | DHFRNPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10687469 | 0.84 | HSP90AA1 (0.39) | DHFRNPSR1SMN1; SMN2 | |
| SCHEMBL10690417 | 0.82 | HSP90AA1 (0.38) | — | |
| SCHEMBL8210724 | 0.81 | CYP17A1 (0.34) | CYP1A2CYP3A4CYP2C9LMNACYP2C19 | |
| SCHEMBL10691060 | 0.81 | DHFR (0.51) | DHFRNPSR1ALDH1A1HRH3CYP1A2 | |
| SCHEMBL10686086 | 0.80 | XDH (0.45) | ALDH1A1OPRM1LMNAADORA2A | |
| SCHEMBL10685042 | 0.78 | DHFR (0.50) | DHFRCYP2D6OPRM1CYP1A2CYP3A4 | |
| SCHEMBL10687594 | 0.74 | SMN1; SMN2 (0.41) | DHFRNPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8207060 | 0.72 | DHFR (0.36) | DHFRALDH1A1PI4KB | |
| SCHEMBL10689629 | 0.70 | XDH (0.38) | DHFR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4774249-A | Pyrimidine derivatives for treating malaria | HOFFMANN-LA ROCHE INC. (US) | 1988-09-27 | — | — | US | disclosed |
| EP-0122580-B1 | PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1987-10-28 | — | — | EP | disclosed |
| US-4590270-A | 2,4-diamino-[4-piperidinyl]pyrimidines useful as antibacterial agents, antimalarial agents, antitumors agents | HOFFMANN-LA ROCHE INC. (US) | 1986-05-20 | — | — | US | disclosed |
| EP-0122580-A1 | Pyrimidine derivatives, their preparation and pharmaceutical compositions | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-10-24 | — | — | EP | disclosed |