Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8008761 | 0.82 | CYP2A6 (0.41) | ALDH1A1CYP2A6CYP2C19CYP2D6ALOX5 | |
| SCHEMBL25285356 | 0.80 | ALDH1A1 (0.43) | ALDH1A1ADRA1DADRA1AADRA1BKDM4E | |
| SCHEMBL158329 | 0.77 | — | — | |
| SCHEMBL29020313 | 0.76 | ALDH1A1 (0.44) | ALDH1A1CYP2A6CYP2C19ADRA1DADRA1A | |
| SCHEMBL9192828 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP2A6CYP2C19ADRA1DADRA1A | |
| SCHEMBL11080507 | 0.75 | TBXAS1 (0.53) | ALDH1A1CYP2A6CYP2C19CYP2D6ALOX5 | |
| SCHEMBL11080502 | 0.75 | TBXAS1 (0.53) | ALDH1A1CYP2A6CYP2C19CYP2D6ALOX5 | |
| SCHEMBL8701373 | 0.74 | ALDH1A1 (0.38) | ALDH1A1CYP2D6ADRA1DADRA1AADRA1B | |
| SCHEMBL1418985 | 0.73 | ALDH1A1 (0.47) | ALDH1A1CYP2A6CYP2C19ADRA1DADRA1A | |
| SCHEMBL27982838 | 0.73 | ALDH1A1 (0.47) | ALDH1A1CYP2A6CYP2C19ADRA1DADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-104640841-B | Lipids for therapeutic agent delivery formulations | 日东电工株式会社 | 2018-04-13 | — | — | CN | disclosed |
| CN-104640841-A | Lipids for therapeutic agent delivery formulations | NITTO DENKO CORP | 2015-05-20 | — | — | CN | disclosed |
| EP-0039989-B1 | PYRIMIDONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-08-29 | — | — | EP | disclosed |
| US-4388317-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-06-14 | — | — | US | disclosed |
| EP-0039989-A1 | Pyrimidone derivatives, processes for their preparation and pharmaceutical compositions containing them | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-11-18 | — | — | EP | disclosed |