Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 3/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22619200 | 0.91 | NOS1 (0.44) | NOS1AXLMETTRPV1 | |
| SCHEMBL14102482 | 0.85 | NOS1 (0.49) | NOS1AXLMETTRPV1 | |
| Hydrochloric Acid SCHEMBL4683856 | 0.83 | NOS1 (0.47) | NOS1AXLMETTRPV1 | |
| SCHEMBL8717074 | 0.78 | HTR2A (0.43) | HTR2AHTR2CKCNH2ROCK2ROCK1 | |
| SCHEMBL10491761 | 0.77 | JAK2 (0.46) | HTR2AHTR2CKCNH2DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL11136214 | 0.75 | JAK2 (0.45) | HTR2AHTR2CKCNH2DRD2DRD3 | |
| SCHEMBL5415511 | 0.75 | CHRNB2 (0.49) | ROCK2ROCK1 | |
| SCHEMBL9044788 | 0.74 | MTNR1A (0.50) | HTR2AHTR2CKCNH2DRD2DRD3 | |
| Trifluoroacetic Acid SCHEMBL4687032 | 0.73 | TRPV1 (0.44) | AXLTRPV1 | |
| SCHEMBL24365522 | 0.72 | MEN1 (0.44) | NOS1AXLMETPARP1TRPV1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6251907-B1 | 1-(aryloxyalkyl)-4-(heteroaryl) piperazines and related compounds useful as antipsychotics and analgesics | AVENTIS PHARMACEUTICALS INC. | 2001-06-26 | — | — | US | disclosed |