Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29607566 | 0.73 | CRHR1 (0.39) | CYP1A2CYP3A4CYP2D6ALDH1A1ALOX15 | |
| SCHEMBL23472261 | 0.70 | TLR8 (0.44) | CYP11B1CYP11B2 | |
| SCHEMBL16091003 | 0.67 | KDM4E (0.42) | CYP1A2CYP3A4CYP2D6ALDH1A1ALOX15 | |
| SCHEMBL23472180 | 0.65 | ALDH1A1 (0.43) | CYP1A2CYP3A4CYP2D6ALDH1A1ALOX15 | |
| SCHEMBL16090918 | 0.65 | TP53 (0.47) | CYP1A2CYP3A4CYP2D6ALDH1A1ALOX15 | |
| SCHEMBL13225322 | 0.64 | — | — | |
| SCHEMBL5430418 | 0.63 | TDP1 (0.42) | CYP3A4ALDH1A1ALOX15TSHR | |
| SCHEMBL11287500 | 0.62 | CYP3A4 (0.39) | CYP1A2CYP3A4CYP2D6ALDH1A1ALOX15 | |
| SCHEMBL18360739 | 0.62 | CYP3A4 (0.39) | CYP1A2CYP3A4CYP2D6ALDH1A1ALOX15 | |
| SCHEMBL16281527 | 0.62 | LMNA (0.50) | CYP1A2CYP3A4CYP2D6ALDH1A1ALOX15 |
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 |