Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.48 |
| ▸ | DRD3 | P35462 | 3/20 | 0.48 |
| ▸ | DRD1 | P21728 | 2/20 | 0.48 |
| ▸ | DRD4 | P21917 | 2/20 | 0.48 |
| ▸ | DRD5 | P21918 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 4/20 | 0.45 |
| ▸ | HTR2C | P28335 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7762986 | 0.92 | HTR1A (0.45) | HTR1AHTR2CMAPTPDE3BPDE3A | |
| SCHEMBL8871094 | 0.85 | HTR1A (0.42) | DRD2DRD3DRD1DRD4DRD5 | |
| SCHEMBL9684901 | 0.85 | PDE3B (0.51) | DRD2TSHRHSD17B10HTR1AHTR2C | |
| SCHEMBL9685780 | 0.82 | HTR1A (0.50) | DRD2HTR1AHTR2CMAPTPDE3B | |
| SCHEMBL175879 | 0.81 | HTR1A (0.51) | DRD2HTR1AHTR2CMAPTPDE3B | |
| SCHEMBL4882695 | 0.79 | HTR1A (0.51) | DRD2HTR1AHTR2CMAPTPDE3B | |
| SCHEMBL9204486 | 0.78 | MAPT (0.59) | HTR1AHTR2CMAPTPDE3BPDE3A | |
| SCHEMBL17080919 | 0.75 | HTR1A (0.51) | DRD2HTR1AHTR2CMAPTPDE3B | |
| SCHEMBL7332557 | 0.75 | HTR1A (0.51) | DRD2HTR1AHTR2CMAPTPDE3B | |
| SCHEMBL8948073 | 0.75 | PDE3B (0.43) | HTR1AHTR2CPDE3BPDE3A |
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-5534517-A | (Aryl(alkyl)carbonyl)-heterocyclic compounds and their use in the treatment of anxiety and depression | ADIR ET COMPAGNIE (FR) | 1996-07-09 | — | — | US | disclosed |
| US-5387586-A | Analgesics, nervous system disorders | ADIR ET COMPAGNIE (FR) | 1995-02-07 | — | — | US | disclosed |
| EP-0613898-A1 | Aryl or arylalkyl-carbonyl heterocyclic derivatives, processes for their preparation and compositions containing them | ADIR ET COMPAGNIE (FR) | 1994-09-07 | — | — | EP | disclosed |