Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | MTOR | P42345 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | BLM | P54132 | 3/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.33 |
| ▸ | HTR2A | P28223 | 4/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.33 |
| ▸ | HRH1 | P35367 | 4/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.33 |
| ▸ | DRD3 | P35462 | 4/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 4/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10683206 | 0.88 | MEN1 (0.44) | CYP3A4CYP2D6MAPK1MTORRAB9A | |
| SCHEMBL10679804 | 0.84 | CYP3A4 (0.42) | CYP3A4CYP2D6MAPK1MTORRAB9A | |
| SCHEMBL10362320 | 0.82 | CYP3A4 (0.42) | CYP3A4CYP2D6MAPK1MTORRAB9A | |
| SCHEMBL10677523 | 0.74 | CYP3A4 (0.38) | CYP3A4CYP2D6MAPK1MTORRAB9A | |
| SCHEMBL4654585 | 0.70 | CYP3A4 (0.46) | CYP3A4CYP2D6MAPK1MTORRAB9A | |
| SCHEMBL4652287 | 0.70 | CYP3A4 (0.41) | CYP3A4CYP2D6MAPK1MTORRAB9A | |
| SCHEMBL4653378 | 0.67 | MEN1 (0.46) | CYP3A4CYP2D6MAPK1MTORRAB9A | |
| Hydrochloric Acid SCHEMBL10936678 | 0.63 | MEN1 (0.46) | CYP3A4CYP2D6MAPK1MTORRAB9A | |
| SCHEMBL10685171 | 0.62 | CYP3A4 (0.46) | CYP3A4CYP2D6MAPK1MTORRAB9A | |
| SCHEMBL4653345 | 0.62 | MAPT (0.44) | CYP3A4CYP2D6MAPK1MTORRAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4766125-A | N-aryl-piperazinealkanamides useful for protecting hearts from myocardial injury caused by ischaemia, anoxia or hypoxia | JANSSEN PHARMACEUTICA N.V. (BE) | 1988-08-23 | — | — | US | disclosed |
| EP-0068544-B1 | NOVEL N-ARYL-PIPERAZINEALKANAMIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1987-06-03 | — | — | EP | disclosed |
| EP-0068544-A2 | Novel N-aryl-piperazinealkanamides | JANSSEN PHARMACEUTICA N.V. (BE) | 1983-01-05 | — | — | EP | disclosed |