Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8640153 | 0.99 | ALDH1A1 (0.55) | ALDH1A1HTTCYP2C19MEN1KMT2A | |
| SCHEMBL7757458 | 0.90 | HTT (0.61) | ALDH1A1HTTCYP2C19MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8637261 | 0.89 | HTT (0.60) | ALDH1A1HTTCYP2C19MEN1KMT2A | |
| SCHEMBL7758476 | 0.88 | ALDH1A1 (0.59) | ALDH1A1HTTCYP2C19MEN1KMT2A | |
| SCHEMBL7758568 | 0.88 | MEN1 (0.64) | ALDH1A1HTTCYP2C19MEN1KMT2A | |
| SCHEMBL7756417 | 0.88 | ALDH1A1 (0.59) | ALDH1A1HTTCYP2C19MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8635524 | 0.87 | ALDH1A1 (0.58) | ALDH1A1HTTCYP2C19MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8642718 | 0.87 | ALDH1A1 (0.58) | ALDH1A1HTTCYP2C19MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8639585 | 0.87 | MEN1 (0.62) | ALDH1A1HTTCYP2C19MEN1KMT2A | |
| SCHEMBL7753771 | 0.86 | ALDH1A1 (0.57) | ALDH1A1HTTCYP2C19MEN1KMT2A |
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-0847999-B1 | N-benzylpiperazine derivatives, process for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 2001-03-21 | — | — | EP | disclosed |
| EP-0847999-A1 | N-benzylpiperazine derivatives, process for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1998-06-17 | — | — | EP | disclosed |