Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 10/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8889173 | 0.78 | ADORA2A (0.41) | ADORA2AADORA2B | |
| SCHEMBL3562422 | 0.76 | ADORA2A (0.36) | ADORA2AADORA2BHTR2AHTR2C | |
| SCHEMBL18853871 | 0.75 | ESR1 (0.63) | ESR1KMOSLC22A12ADORA2AADORA2B | |
| SCHEMBL3136016 | 0.75 | HTR2A (0.56) | ESR1KMOSLC22A12ADORA2AADORA2B | |
| SCHEMBL8887595 | 0.71 | ESR1 (0.36) | ESR1 | |
| SCHEMBL6486543 | 0.70 | KMO (0.36) | KMOADORA2A | |
| SCHEMBL177096 | 0.70 | SLC22A12 (0.51) | SLC22A12 | |
| SCHEMBL15723742 | 0.69 | GRM4 (0.43) | ESR1HTR1AADRA2AADRA2BADRA2C | |
| Fumaric Acid SCHEMBL4845606 | 0.68 | HTR2A (0.47) | ESR1KMOSLC22A12HTR1AADRA2A | |
| Fumaric Acid SCHEMBL4845619 | 0.68 | HTR2A (0.47) | ESR1KMOSLC22A12HTR1AADRA2A |
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-5631264-A | NEUROLOGICAL DISORDERS | SANOFI WINTHROP, INC. (US) | 1997-05-20 | — | — | US | disclosed |
| US-5554620-A | Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof | STERLING WINTHROP INC. (US) | 1996-09-10 | — | — | US | disclosed |
| EP-0656359-A1 | Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof | STERLING WINTHROP INC. (US) | 1995-06-07 | — | — | EP | disclosed |