Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.53 |
| ▸ | HTR1A | P08908 | 2/20 | 0.53 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.53 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.53 |
| ▸ | SCN1A | P35498 | 1/20 | 0.53 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.53 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2204596 | 0.85 | ADRA2A (0.56) | HTTCA2ADRA2AADRA1AHTR1A | |
| SCHEMBL1568393 | 0.81 | HTT (0.66) | HTTCA2ADRA2AADRA1AHTR1A | |
| SCHEMBL1545537 | 0.81 | HTT (0.66) | HTTCA2ADRA2AADRA1AHTR1A | |
| SCHEMBL406531 | 0.81 | HTT (0.61) | HTTCA2ADRA2AADRA1AHTR1A | |
| SCHEMBL5871673 | 0.81 | HTT (0.61) | HTTCA2ADRA2AADRA1AHTR1A | |
| SCHEMBL12309752 | 0.81 | POLB (0.62) | HTTCA2ADRA2AADRA1AHTR1A | |
| Hydrochloric Acid SCHEMBL8179101 | 0.80 | HTT (0.59) | HTTCA2ADRA2AADRA1AHTR1A | |
| SCHEMBL11238168 | 0.80 | HTT (0.59) | HTTCA2ADRA2AADRA1AHTR1A | |
| SCHEMBL10978442 | 0.79 | HTT (0.58) | HTTCA2ADRA2AADRA1AHTR1A | |
| SCHEMBL12602022 | 0.79 | POLB (0.59) | HTTCA2ADRA2AADRA1AHTR1A |
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-0395244-B1 | Pyridine derivatives | WYETH JOHN & BROTHER LTD (GB) | 1997-02-19 | — | — | EP | disclosed |
| US-5194439-A | 5-HT Agonists or Antagonists, Nervous System Disorders, Hypotensive Agents | JOHN WYETH & BROTHER LIMITED (GB) | 1993-03-16 | — | — | US | disclosed |
| US-5075303-A | Central nervous system disorders | JOHN WYETH & BROTHER LIMITED (GB) | 1991-12-24 | — | — | US | disclosed |
| EP-0395244-A1 | Pyridine derivatives | JOHN WYETH & BROTHER LIMITED (GB) | 1990-10-31 | — | — | EP | disclosed |