Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL249385 | 0.91 | KMT2A (0.66) | KMT2AALDH1A1NR1H4EPHX2SRD5A2 | |
| Hydrochloric Acid SCHEMBL944164 | 0.89 | KMT2A (0.63) | KMT2AALDH1A1NR1H4EPHX2SRD5A2 | |
| SCHEMBL220750 | 0.84 | CES2 (0.65) | KMT2AALDH1A1CES2CES1SRD5A2 | |
| SCHEMBL5616344 | 0.83 | CES2 (0.43) | KMT2AALDH1A1CES2CES1HPGD | |
| Acetone SCHEMBL28624234 | 0.83 | ALDH1A1 (0.59) | KMT2AALDH1A1CES2CES1SRD5A2 | |
| Methane SCHEMBL8847284 | 0.82 | CES2 (0.63) | KMT2AALDH1A1CES2CES1SRD5A2 | |
| Bromide SCHEMBL1595413 | 0.82 | CES2 (0.63) | KMT2AALDH1A1CES2CES1SRD5A2 | |
| Hydrochloric Acid SCHEMBL1598137 | 0.82 | CES2 (0.63) | KMT2AALDH1A1CES2CES1SRD5A2 | |
| SCHEMBL5142656 | 0.82 | CES2 (0.63) | KMT2AALDH1A1CES2CES1SRD5A2 | |
| N-Benzylmethylamine SCHEMBL28452678 | 0.79 | KDM4E (0.65) | KMT2AALDH1A1CES2CES1NR1H4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1763526-A1 | 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS | Altana Pharma AG (DE) | 2007-03-21 | — | — | EP | disclosed |
| WO-2006000589-A1 | 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS | ALTANA PHARMA AG (DE) | 2006-01-05 | — | — | WO | disclosed |