Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 10/20 | 0.88 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.88 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.88 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.88 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.88 |
| ▸ | MAPT | P10636 | 1/20 | 0.88 |
| ▸ | HPGD | P15428 | 1/20 | 0.88 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.88 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.88 |
| ▸ | DRD2 | P14416 | 13/20 | 0.72 |
| ▸ | DRD4 | P21917 | 9/20 | 0.72 |
| ▸ | DRD3 | P35462 | 8/20 | 0.69 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.69 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.69 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.69 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.66 |
| ▸ | HTR2A | P28223 | 3/20 | 0.66 |
| ▸ | HTR2C | P28335 | 3/20 | 0.66 |
| ▸ | DRD1 | P21728 | 2/20 | 0.66 |
| ▸ | HTR2B | P41595 | 2/20 | 0.66 |
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 SCHEMBL9640147 | 0.99 | HTR1A (0.87) | HTR1ACYP1A2CYP3A4KDM4EALDH1A1 | |
| SCHEMBL6364443 | 0.94 | HTR1A (1.00) | HTR1ACYP1A2CYP3A4KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL3187184 | 0.93 | HTR1A (0.98) | HTR1ACYP1A2CYP3A4KDM4EALDH1A1 | |
| SCHEMBL9280229 | 0.86 | HTR1A (0.86) | HTR1ACYP1A2CYP3A4KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL9639153 | 0.86 | HTR1A (0.85) | HTR1ACYP1A2CYP3A4KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL9653712 | 0.81 | HTR1A (0.72) | HTR1ACYP1A2CYP3A4KDM4EALDH1A1 | |
| SCHEMBL10950772 | 0.81 | DRD2 (0.98) | HTR1ACYP1A2MAPTDRD2DRD4 | |
| SCHEMBL9843205 | 0.81 | HTR1A (0.71) | HTR1ACYP1A2CYP3A4KDM4EALDH1A1 | |
| SCHEMBL9198697 | 0.81 | HTR1A (0.76) | HTR1ACYP1A2CYP3A4KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL9640611 | 0.80 | HTR1A (0.70) | HTR1ACYP1A2CYP3A4KDM4EALDH1A1 |
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-0434561-A2 | 1-Naphthyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1991-06-26 | — | — | EP | disclosed |