Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.34 |
| ▸ | RELA | Q04206 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.33 |
| ▸ | CDK1 | P06493 | 2/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.33 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23472589 | 0.82 | CCNB2 (0.37) | ALDH1A1CYP3A4LMNACYP1A2CYP2C19 | |
| SCHEMBL20219563 | 0.81 | TLR8 (0.36) | ALDH1A1CYP3A4CYP1A2KDM4ENPSR1 | |
| SCHEMBL15470372 | 0.80 | L3MBTL1 (0.48) | CYP3A4CYP1A2L3MBTL1TLR8TLR7 | |
| SCHEMBL23472660 | 0.80 | CYP1A2 (0.35) | ALDH1A1CYP3A4CYP1A2CYP2C19KDM4E | |
| SCHEMBL23472702 | 0.76 | CCNB2 (0.35) | ALDH1A1CYP3A4LMNACYP1A2CYP2C19 | |
| SCHEMBL20219506 | 0.72 | SRC (0.44) | ALDH1A1CYP3A4LMNACYP1A2CYP2C19 | |
| SCHEMBL20219267 | 0.71 | TLR7 (0.44) | ALDH1A1CYP3A4LMNACYP1A2CYP2C19 | |
| SCHEMBL23472599 | 0.71 | CYP1A2 (0.44) | ALDH1A1CYP3A4LMNACYP1A2CYP2C19 | |
| SCHEMBL20219480 | 0.70 | LMNA (0.45) | ALDH1A1CYP3A4LMNACYP1A2CYP2C19 | |
| SCHEMBL23472065 | 0.70 | TLR8 (0.43) | ALDH1A1CYP3A4LMNACYP1A2CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3590928-B1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) | 2021-06-09 | — | — | EP | disclosed |