Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | XBP1 | P17861 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 4/20 | 0.47 |
| ▸ | DRD3 | P35462 | 3/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11785894 | 0.89 | DRD2 (0.56) | HTR1ADRD3DRD2HTR2AHTR2C | |
| SCHEMBL11785927 | 0.87 | DRD3 (0.60) | SLC6A4SMN1; SMN2HTR1ADRD3DRD2 | |
| SCHEMBL11785971 | 0.87 | SLC6A2 (0.53) | SLC6A4NPC1RAB9AADRA1DADRA1A | |
| SCHEMBL8323715 | 0.87 | SLC6A4 (0.54) | MAPTNPSR1SLC6A4KDM4ESMN1; SMN2 | |
| Centhaquine SCHEMBL29751033 | 0.86 | DRD3 (0.58) | SLC6A4ADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL11784050 | 0.86 | DRD4 (0.53) | MAPTNPSR1SLC6A4KDM4ESMN1; SMN2 | |
| SCHEMBL11784383 | 0.86 | SLC6A2 (0.59) | MAPTSLC6A4KDM4ESMN1; SMN2NPC1 | |
| Centhaquine SCHEMBL10029638 | 0.86 | DRD3 (0.58) | SLC6A4ADRA1DADRA1AADRA1BHTR1A | |
| Centhaquine SCHEMBL29991817 | 0.86 | DRD3 (0.58) | SLC6A4ADRA1DADRA1AADRA1BHTR1A | |
| Centhaquine SCHEMBL11788684 | 0.85 | DRD3 (0.57) | SLC6A4ADRA1DADRA1AADRA1BHTR1A |
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 1 patent. 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 |