Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 10/20 | 0.54 |
| ▸ | HTR2C | P28335 | 10/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.49 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12223773 | 0.82 | HTR2A (0.51) | HTR2AHTR2CCHRM1CHRM4CHRM5 | |
| SCHEMBL6694230 | 0.78 | ESR1 (0.47) | KDM4EL3MBTL1PKM | |
| SCHEMBL901151 | 0.77 | HTR2A (0.54) | HTR2AHTR2CCHRM1CHRM4CHRM5 | |
| SCHEMBL23156895 | 0.75 | MEN1 (0.46) | OPRM1 | |
| SCHEMBL8534401 | 0.75 | CHRM1 (0.49) | HTR2AHTR2CCHRM1CHRM4CHRM5 | |
| SCHEMBL18355624 | 0.75 | HTR2A (0.48) | HTR2AHTR2CCHRM1CHRM4CHRM5 | |
| SCHEMBL15284332 | 0.75 | HTR2A (0.49) | HTR2AHTR2CCHRM1CHRM4CHRM5 | |
| SCHEMBL4753533 | 0.75 | CHRM3 (0.58) | CHRM1CHRM4CHRM5CHRM3CHRM2 | |
| SCHEMBL22605700 | 0.73 | HTR2A (0.48) | HTR2AHTR2CKDM4EL3MBTL1 | |
| SCHEMBL27614491 | 0.73 | CYP3A4 (0.51) | HTR2AHTR2CCHRM1CHRM4CHRM5 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5817651-A | ANALGESICS, RHEUMATIC DISEASES, ANTIINFLAMMATORY AGENTS | SANOFI (FR) | 1998-10-06 | — | — | US | disclosed |
| US-5607933-A | METHODS FOR TREATMENT OF GLAUCOMA AND FOR RELIEF OF PAIN AND RHEUMATIC AND INFLAMMATORY CONDITIONS BY ADMINISTERING THE INDOLES; N-HETERYL IS 2-PIPERAZINYL | STERLING WINTHROP INC. (US) | 1997-03-04 | — | — | US | disclosed |
| US-5324737-A | Analgesics, antirheumatic and antiinflammatory agents, glaucoma | STERLING WINTHROP INC. (US) | 1994-06-28 | — | — | US | disclosed |
| US-5068234-A | Analgesics, rheumatic diseases, antiinflammatory agents or antiglaucoma | STERLING DRUG INC. (US) | 1991-11-26 | — | — | US | disclosed |
| EP-0444451-A2 | 3-Arylcarbonyl-1H-indoles useful as therapeutic agents | STERLING WINTHROP INC. (US) | 1991-09-04 | — | — | EP | disclosed |