Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.54 |
| ▸ | CTSK | P43235 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 2/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9669136 | 0.89 | CYP3A4 (0.55) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL9669062 | 0.88 | CYP3A4 (0.72) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL9669467 | 0.84 | CYP3A4 (0.56) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL17512979 | 0.83 | CYP3A4 (0.74) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL9669395 | 0.81 | CYP3A4 (0.58) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL19220802 | 0.80 | CYP3A4 (0.56) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL9669156 | 0.79 | CYP3A4 (0.67) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL9669441 | 0.79 | CYP3A4 (0.49) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL9669060 | 0.78 | CYP3A4 (0.74) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL27926127 | 0.76 | CYP3A4 (0.48) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0293351-B1 | NEW ARALKYL ESTERS AND PROCESSES FOR THEIR PREPARATION | AKTIEBOLAGET ASTRA (SE) | 1992-03-25 | — | — | EP | disclosed |
| US-4990534-A | Aralkyl esters and processes for their preparation | AKTIEBOLAGET ASTRA (SE) | 1991-02-05 | — | — | US | disclosed |
| EP-0362264-A1 | NEW ARALKYL ESTERS AND PROCESSES FOR THEIR PREPARATION | AKTIEBOLAGET ASTRA (SE) | 1990-04-11 | — | — | EP | disclosed |
| WO-1988009327-A1 | NEW ARALKYL ESTERS AND PROCESSES FOR THEIR PREPARATION | AKTIEBOLAGET ASTRA (SE) | 1988-12-01 | — | — | WO | disclosed |
| EP-0293351-A2 | New aralkyl esters and processes for their preparation | AKTIEBOLAGET ASTRA (SE) | 1988-11-30 | — | — | EP | disclosed |