Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | PDE5A | O76074 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19921068 | 0.80 | IRAK4 (0.48) | MAPK1LMNATP53TSHRIRAK4 | |
| SCHEMBL19921152 | 0.78 | EGFR (0.50) | PTK2 | |
| SCHEMBL19929856 | 0.78 | MAPK1 (0.54) | MAPK1LMNATP53TSHRPDE5A | |
| SCHEMBL19929899 | 0.78 | KDM4E (0.47) | LMNATP53MAPTALDH1A1HPGD | |
| SCHEMBL1298525 | 0.73 | KMT2A (0.43) | MAPK1TP53TSHRPDE5AABCG2 | |
| SCHEMBL694145 | 0.69 | RAB9A (0.66) | TP53TSHRMAPTALDH1A1HPGD | |
| SCHEMBL30444499 | 0.69 | RAB9A (0.66) | TP53TSHRMAPTALDH1A1HPGD | |
| SCHEMBL655507 | 0.68 | SYK (0.67) | KDR | |
| Hydrochloric Acid SCHEMBL1302781 | 0.67 | RAB9A (0.64) | TP53TSHRMAPTALDH1A1HPGD | |
| SCHEMBL7440301 | 0.67 | MEN1 (0.60) | MAPK1LMNATP53TSHRPDE5A |
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-3290420-B1 | PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF | UNIV XIAMEN (CN) | 2020-12-09 | — | — | EP | disclosed |
| EP-3290420-A1 | PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF | Xiamen University (CN) | 2018-03-07 | — | — | EP | disclosed |