Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 4/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9689437 | 1.00 | PARP1 (0.47) | PARP1CHIAHTR1AHTR7DRD2 | |
| SCHEMBL9688155 | 1.00 | PARP1 (0.47) | PARP1CHIAHTR1AHTR7DRD2 | |
| Hydrochloric Acid SCHEMBL9690356 | 0.99 | PARP1 (0.46) | PARP1CHIAHTR1AHTR7DRD2 | |
| Hydrochloric Acid SCHEMBL9689424 | 0.99 | PARP1 (0.46) | PARP1CHIAHTR1AHTR7DRD2 | |
| Hydrochloric Acid SCHEMBL9690279 | 0.99 | PARP1 (0.46) | PARP1CHIAHTR1AHTR7DRD2 | |
| SCHEMBL9639730 | 0.95 | PARP1 (0.48) | PARP1CHIAHTR1AHTR7DRD2 | |
| SCHEMBL9639591 | 0.90 | PARP1 (0.50) | PARP1CHIADRD4 | |
| Hydrochloric Acid SCHEMBL9640177 | 0.89 | PARP1 (0.49) | PARP1CHIADRD4 | |
| SCHEMBL9689490 | 0.84 | HRH3 (0.50) | DRD2 | |
| SCHEMBL9688153 | 0.82 | DRD2 (0.52) | HTR1AHTR7DRD2HTR2ADRD3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0358676-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1990-03-21 | — | — | EP | claimed |
| WO-1988008424-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1988-11-03 | — | — | WO | claimed |
| US-5120843-A | Nervous system disorders | UPJOHN (US) | 1992-06-09 | — | — | US | disclosed |
| EP-0487510-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1992-05-27 | — | — | EP | disclosed |
| EP-0358676-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1990-03-21 | — | — | EP | disclosed |
| WO-1988008424-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1988-11-03 | — | — | WO | disclosed |