Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.53 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | MIF | P14174 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.41 |
| ▸ | DRD1 | P21728 | 2/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10599419 | 0.98 | ESR1 (0.51) | ESR1ESR2ADRB1ADRA1AMIF | |
| SCHEMBL28049229 | 0.82 | ESR1 (0.53) | ESR1ESR2ADRB1ADRA1AMIF | |
| SCHEMBL6719945 | 0.82 | ADRB1 (0.43) | ESR1ESR2ADRB1ADRA1AMIF | |
| Hydrochloric Acid SCHEMBL10772227 | 0.81 | LMNA (0.42) | ESR1ESR2ADRB1ADRA1AMIF | |
| SCHEMBL7008435 | 0.79 | ESR1 (0.50) | ESR1ESR2ADRB1ADRA1AMIF | |
| SCHEMBL28494873 | 0.79 | PNMT (0.41) | TSHRGAAALDH1A1MEN1KMT2A | |
| SCHEMBL28748834 | 0.79 | SLC6A2 (0.41) | KMT2ATAAR1 | |
| SCHEMBL11019443 | 0.78 | ESR1 (0.56) | ESR1ESR2CCR1TSHRSLC6A3 | |
| SCHEMBL10600837 | 0.77 | ESR1 (0.63) | ESR1ESR2ADRA1AHIF1ADRD1 | |
| SCHEMBL1856265 | 0.77 | TAAR1 (0.52) | HTR2ATSHRSLC6A3TAAR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0219961-B1 | IRREVERSIBLE DOPAMINE-B-HYDROXYLASE INHIBITORS | SMITHKLINE BECKMAN CORPORATION (US) | 1989-03-08 | — | — | EP | claimed |
| US-4760089-A | Benzonitrile derivative; enzyme inhibitor | SMITHKLINE BECKMAN CORPORATION (US) | 1988-07-26 | — | — | US | claimed |
| EP-0219961-A1 | Irreversible dopamine-B-hydroxylase inhibitors | SMITHKLINE BECKMAN CORPORATION (US) | 1987-04-29 | — | — | EP | claimed |
| EP-0432442-A1 | ACAT inhibitors | WARNER-LAMBERT COMPANY (US) | 1991-06-19 | — | — | EP | disclosed |
| EP-0219961-B1 | IRREVERSIBLE DOPAMINE-B-HYDROXYLASE INHIBITORS | SMITHKLINE BECKMAN CORPORATION (US) | 1989-03-08 | — | — | EP | disclosed |
| US-4760089-A | Benzonitrile derivative; enzyme inhibitor | SMITHKLINE BECKMAN CORPORATION (US) | 1988-07-26 | — | — | US | disclosed |
| EP-0219961-A1 | Irreversible dopamine-B-hydroxylase inhibitors | SMITHKLINE BECKMAN CORPORATION (US) | 1987-04-29 | — | — | EP | disclosed |