Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | PDE5A | O76074 | 1/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | BCR | P11274 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19929858 | 0.79 | KDM4E (0.48) | MAPTALDH1A1HPGDKDM4ESMN1; SMN2 | |
| SCHEMBL19929900 | 0.78 | MAPK1 (0.52) | MAPK1LMNATP53TSHRPDE5A | |
| SCHEMBL18194320 | 0.77 | JAK1 (0.46) | SRCIRAK4MEN1KMT2A | |
| SCHEMBL18194319 | 0.76 | PTK2 (0.55) | MAPK1IRAK4PDGFRB | |
| SCHEMBL2750702 | 0.72 | MAPT (0.67) | LMNATP53MAPTALDH1A1HPGD | |
| SCHEMBL30444499 | 0.70 | RAB9A (0.66) | TP53TSHRMAPTALDH1A1HPGD | |
| SCHEMBL694145 | 0.70 | RAB9A (0.66) | TP53TSHRMAPTALDH1A1HPGD | |
| SCHEMBL655507 | 0.70 | SYK (0.67) | — | |
| SCHEMBL7788943 | 0.69 | TNNI3K (0.62) | BRAFCREBBP | |
| Hydrochloric Acid SCHEMBL1302781 | 0.69 | RAB9A (0.64) | TP53TSHRMAPTALDH1A1HPGD |
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 |