Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10689629 | 0.87 | XDH (0.38) | DHFRFGFR1FGFR2 | |
| SCHEMBL10687407 | 0.83 | DHFR (0.41) | DHFRMEN1KMT2AMAPTKDM4E | |
| SCHEMBL10686086 | 0.83 | XDH (0.45) | KMT2AALDH1A1 | |
| SCHEMBL10690417 | 0.81 | HSP90AA1 (0.38) | HSP90AA1HSP90AB1 | |
| SCHEMBL10682963 | 0.76 | KCNH2 (0.37) | DHFR | |
| SCHEMBL10687297 | 0.73 | DHFR (0.47) | DHFRMEN1KMT2AALDH1A1BLM | |
| SCHEMBL10803047 | 0.72 | GAA (0.42) | DHFRMEN1KMT2AALDH1A1BLM | |
| SCHEMBL10689231 | 0.70 | ALDH1A1 (0.40) | MAPTALDH1A1FGFR1FGFR2 | |
| SCHEMBL10686310 | 0.69 | ADRB1 (0.42) | DHFRALDH1A1 | |
| SCHEMBL10687580 | 0.68 | MEN1 (0.43) | MEN1KMT2AMAPTTSHRL3MBTL1 |
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 3 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 |
| 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 |