Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL10690764 | 0.81 | DHFR (0.63) | DHFR | |
| SCHEMBL10686944 | 0.78 | DHFR (0.45) | DHFR | |
| SCHEMBL20734745 | 0.76 | DHFR (0.67) | HRH3DHFR | |
| SCHEMBL10689416 | 0.73 | DHFR (0.52) | ADRB1DHFR | |
| SCHEMBL20734741 | 0.72 | DHFR (0.50) | DHFR | |
| SCHEMBL2096047 | 0.72 | MAPT (0.64) | MEN1KMT2AMAPTHRH3LMNA | |
| SCHEMBL30714999 | 0.71 | DHFR (0.41) | DHFR | |
| SCHEMBL2444528 | 0.71 | DHFR (0.41) | DHFR | |
| SCHEMBL20734746 | 0.70 | DHFR (0.75) | DHFR | |
| SCHEMBL4004688 | 0.70 | HRH4 (0.45) | HRH3DHFR |
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 6 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 |
| 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 |