Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | DRD4 | P21917 | 10/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 8/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10502013 | 0.82 | ALDH1A1 (0.72) | ALDH1A1CYP3A4CYP2D6MAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL4485907 | 0.81 | ALDH1A1 (0.80) | ALDH1A1CYP3A4CYP2D6MAPTMAPK1 | |
| SCHEMBL4819694 | 0.81 | ALDH1A1 (0.69) | ALDH1A1CYP3A4CYP2D6MAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL10502982 | 0.80 | ALDH1A1 (0.68) | ALDH1A1CYP3A4CYP2D6MAPTMAPK1 | |
| SCHEMBL4874296 | 0.79 | ALDH1A1 (0.71) | ALDH1A1CYP3A4CYP2D6MAPTMAPK1 | |
| SCHEMBL8341481 | 0.79 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP2D6MAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL3840435 | 0.78 | ALDH1A1 (0.97) | ALDH1A1CYP3A4CYP2D6MAPTMAPK1 | |
| SCHEMBL4809735 | 0.77 | DRD4 (0.60) | ALDH1A1MAPTDRD4SIGMAR1ATM | |
| Hydrochloric Acid SCHEMBL4819865 | 0.76 | DRD4 (0.58) | ALDH1A1MAPTDRD4SIGMAR1ATM | |
| SCHEMBL4818305 | 0.75 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2D6MAPTMAPK1 |
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-0122488-A1 | Bis-(piperazinyl- or homopiperazinyl)-alkanes | Boehringer Ingelheim Pharmaceuticals Inc. (US) | 1984-10-24 | — | — | EP | disclosed |