Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | RAD52 | P43351 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.48 |
| ▸ | HTR1D | P28221 | 5/20 | 0.46 |
| ▸ | HTR1B | P28222 | 4/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PTGIR | P43119 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5201826 | 0.99 | TAAR1 (0.52) | TAAR1CYP2D6NFKB1RAD52HTR6 | |
| SCHEMBL5202333 | 0.81 | NISCH (0.56) | TAAR1CYP2D6NFKB1HTR6ADRA2A | |
| Hydrochloric Acid SCHEMBL8065503 | 0.81 | NISCH (0.55) | TAAR1CYP2D6NFKB1HTR6ADRA2A | |
| SCHEMBL14340649 | 0.74 | HTR6 (0.54) | HTR6LMNACYP1A2 | |
| SCHEMBL5206534 | 0.73 | HTR6 (0.52) | HTR6 | |
| SCHEMBL5202098 | 0.73 | HTR6 (0.52) | HTR6 | |
| SCHEMBL953099 | 0.70 | TAAR1 (1.00) | TAAR1CYP2D6NFKB1HTR1DHTR1B | |
| SCHEMBL5204217 | 0.70 | HTR6 (0.49) | HTR6 | |
| SCHEMBL4993472 | 0.69 | RAD52 (0.49) | TAAR1CYP2D6NFKB1RAD52HTR1D | |
| SCHEMBL5200888 | 0.69 | RAD52 (0.49) | TAAR1CYP2D6NFKB1RAD52HTR1D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0887346-B1 | N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists | HOFFMANN LA ROCHE (CH) | 2007-12-12 | — | — | EP | disclosed |
| US-6057349-A | ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND | F. HOFFMAN LA ROCHE AG (CH) | 2000-05-02 | — | — | US | disclosed |
| US-5952362-A | INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY | SYNTEX (U.S.A) INC. (US) | 1999-09-14 | — | — | US | disclosed |
| EP-0887346-A2 | Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists | F. HOFFMANN-LA ROCHE AG (CH) | 1998-12-30 | — | — | EP | disclosed |