Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL9729169 | 0.80 | ALDH1A1 (0.36) | KDM4ECYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL9337972 | 0.79 | MAPT (0.41) | KDM4ECYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL9339657 | 0.76 | SLC29A1 (0.39) | KDM4ECYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL9338353 | 0.69 | L3MBTL1 (0.37) | KDM4EALDH1A1HTTL3MBTL1MEN1 | |
| SCHEMBL7212713 | 0.69 | ACHE (0.45) | KDM4ECYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL9337959 | 0.66 | ALDH1A1 (0.41) | KDM4ECYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL9337961 | 0.65 | OPRM1 (0.51) | KDM4ECYP3A4ALDH1A1CYP1A2CYP2C19 | |
| Dimethylamine SCHEMBL9337974 | 0.65 | ALDH1A1 (0.40) | KDM4ECYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL9729166 | 0.65 | MAPT (0.33) | KDM4EALDH1A1HTTL3MBTL1MEN1 | |
| SCHEMBL12208673 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0450995-B1 | New propanamines, their pharmacological properties and their therapeutical applications, notably as anti-diarrhoea agents | JOUVEINAL SA (FR) | 1994-06-08 | — | — | EP | disclosed |
| EP-0450995-A1 | New propanamines, their pharmacological properties and their therapeutical applications, notably as anti-diarrhoea agents | JOUVEINAL S.A. (FR) | 1991-10-09 | — | — | EP | disclosed |