Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | PTAFR | P25105 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20855753 | 0.77 | TP53 (0.43) | ALDH1A1POLBMEN1KMT2AKDM4E | |
| SCHEMBL20855751 | 0.77 | TP53 (0.43) | ALDH1A1POLBMEN1KMT2AKDM4E | |
| SCHEMBL1541914 | 0.74 | ACHE (0.59) | ACHEPTAFRCYP3A4ALDH1A1PTGS2 | |
| SCHEMBL6822928 | 0.72 | PTAFR (0.69) | ACHEPTPN1PTAFRCYP3A4MAPK3 | |
| SCHEMBL7786361 | 0.71 | CYP19A1 (0.49) | ACHEPTPN1MAPK3MAPK1ALDH1A1 | |
| SCHEMBL22984885 | 0.69 | HTR2A (0.40) | ACHEPTPN1ALDH1A1MEN1KMT2A | |
| SCHEMBL14189350 | 0.67 | ACHE (0.50) | ACHECYP3A4ALDH1A1PTGS2MAP3K14 | |
| SCHEMBL7779150 | 0.67 | MEN1 (0.35) | ACHEPTPN1MAPK3MAPK1ALDH1A1 | |
| SCHEMBL25934295 | 0.66 | KDM4E (0.47) | ACHECYP3A4MAPK1ALDH1A1PTGS2 | |
| SCHEMBL7056856 | 0.66 | ALDH1A1 (0.46) | CYP3A4ALDH1A1POLBMEN1KMT2A |
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-2103596-A1 | Process for the preparation of N-(phenylethyl) anilines salts and solvates thereof useful as serotonin 5-HT6 antagonists | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2009-09-23 | — | — | EP | disclosed |