Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.62 |
| ▸ | HTR1A | P08908 | 3/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.60 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.60 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.60 |
| ▸ | DRD1 | P21728 | 1/20 | 0.60 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.60 |
| ▸ | DRD3 | P35462 | 1/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.55 |
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | HTR7 | P34969 | 2/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL11785927 | 0.86 | DRD3 (0.60) | SIGMAR1HTR1ASLC6A4DRD1DRD3 | |
| SCHEMBL11785894 | 0.86 | DRD2 (0.56) | SIGMAR1HTR1AKCNH2DRD3PARP1 | |
| Centhaquine SCHEMBL29991817 | 0.86 | DRD3 (0.58) | HTR1ASLC6A4KCNH2OPRM1ADRA2A | |
| Centhaquine SCHEMBL29751033 | 0.86 | DRD3 (0.58) | HTR1ASLC6A4KCNH2OPRM1ADRA2A | |
| Centhaquine SCHEMBL10029638 | 0.86 | DRD3 (0.58) | HTR1ASLC6A4KCNH2OPRM1ADRA2A | |
| SCHEMBL11785546 | 0.86 | SLC6A4 (0.59) | SIGMAR1HTR1ASLC6A4DRD1ADRA1A | |
| SCHEMBL11786467 | 0.86 | DRD3 (0.48) | SIGMAR1HTR1ASLC6A4KCNH2OPRM1 | |
| Centhaquine SCHEMBL11788684 | 0.85 | DRD3 (0.57) | HTR1ASLC6A4KCNH2OPRM1ADRA2A | |
| SCHEMBL28025584 | 0.84 | SIGMAR1 (0.47) | SIGMAR1HTR1ASLC6A4KCNH2OPRM1 | |
| SCHEMBL27590575 | 0.84 | HTR1A (0.60) | SIGMAR1HTR1AKCNH2DRD3KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3983121-A | 1-Substituted 4-(β-2-quinolylethyl)piperazines and 1,2,3,4-tetrahydroquinolyl-ethyl analogues thereof | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 1976-09-28 | — | — | US | claimed |
| US-3983121-A | 1-Substituted 4-(β-2-quinolylethyl)piperazines and 1,2,3,4-tetrahydroquinolyl-ethyl analogues thereof | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 1976-09-28 | — | — | US | disclosed |