Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 7/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10689416 | 0.90 | DHFR (0.52) | DHFRTGFBR1 | |
| SCHEMBL10807304 | 0.88 | DHFR (0.56) | DHFRALDH1A1GAAMAPTRAB9A | |
| SCHEMBL10690764 | 0.83 | DHFR (0.63) | DHFR | |
| SCHEMBL10685042 | 0.81 | DHFR (0.50) | DHFRKMT2A | |
| SCHEMBL10689681 | 0.81 | DHFR (0.49) | DHFRALDH1A1KMT2A | |
| SCHEMBL28317644 | 0.80 | DHFR (0.46) | DHFRALDH1A1GAAMAPTRAB9A | |
| SCHEMBL10686944 | 0.80 | DHFR (0.45) | DHFR | |
| SCHEMBL10806712 | 0.78 | DHFR (0.45) | DHFRSMN1; SMN2 | |
| SCHEMBL10690355 | 0.78 | MEN1 (0.54) | DHFRALDH1A1MAPTKMT2AHRH3 | |
| SCHEMBL20723294 | 0.78 | DHFR (0.72) | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0122580-B1 | PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1987-10-28 | — | — | EP | claimed |
| 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 | claimed |
| EP-0122580-A1 | Pyrimidine derivatives, their preparation and pharmaceutical compositions | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-10-24 | — | — | EP | claimed |
| 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 |