Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.60 |
| ▸ | PGR | P06401 | 1/20 | 0.60 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.60 |
| ▸ | HTR1A | P08908 | 1/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.60 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.60 |
| ▸ | DRD1 | P21728 | 1/20 | 0.60 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.60 |
| ▸ | PDE4A | P27815 | 1/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.60 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.60 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.60 |
| ▸ | DRD3 | P35462 | 1/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.60 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.59 |
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 SCHEMBL9486127 | 0.85 | ABCB11 (0.68) | ESR1PGRCHRM2HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL9486579 | 0.84 | BCHE (0.46) | — | |
| SCHEMBL9486706 | 0.82 | TSPO (0.47) | — | |
| SCHEMBL9487117 | 0.81 | ESR1 (0.75) | ESR1PGRCHRM2HTR1AADRA2A | |
| Fumaric Acid SCHEMBL9485596 | 0.80 | ESR1 (0.59) | ESR1PGRCHRM2HTR1AADRA2A | |
| Fumaric Acid SCHEMBL9485587 | 0.80 | ESR1 (0.59) | ESR1PGRCHRM2HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL9485749 | 0.77 | ABCB11 (0.53) | ESR1PGRCHRM2HTR1AADRA2A | |
| SCHEMBL14481511 | 0.77 | ESR1 (0.93) | ESR1PGRCHRM2HTR1AADRA2A | |
| Oxalic Acid SCHEMBL9488048 | 0.76 | ESR1 (0.51) | ESR1PGRCHRM2HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL9485725 | 0.76 | ABCB11 (0.81) | ESR1PGRCHRM2HTR1AADRA2A |
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-5223510-A | ALKYLAMINOALKYL DERIVATIVES OF BENZOFURAN, BENZOTHIOPHENE, INDOLE AND INDOLIZINE, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM | SANOFI (FR) | 1993-06-29 | — | — | US | disclosed |