Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | MAOA | P21397 | 4/20 | 0.58 |
| ▸ | MAOB | P27338 | 4/20 | 0.58 |
| ▸ | HTR1A | P08908 | 2/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | DRD1 | P21728 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.55 |
| ▸ | DRD3 | P35462 | 1/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HRH1 | P35367 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17698620 | 0.86 | HTR6 (0.58) | ADRA2AADRA1ADRD3HRH1HTR6 | |
| SCHEMBL17698631 | 0.82 | HTR6 (0.61) | CYP1A2CYP2D6HTR1AADRA2ACHRM1 | |
| SCHEMBL3317502 | 0.80 | CYP1A2 (0.66) | CYP1A2CYP2D6MAOAMAOBHTR1A | |
| SCHEMBL18494979 | 0.77 | MAOA (0.76) | CYP1A2CYP2D6MAOAMAOBHTR1A | |
| SCHEMBL12868566 | 0.76 | CYP1A2 (0.97) | CYP1A2CYP2D6MAOAMAOBHTR1A | |
| SCHEMBL22055272 | 0.76 | MAOA (0.54) | CYP1A2CYP2D6MAOAMAOBHTR1A | |
| SCHEMBL13368816 | 0.76 | HRH1 (0.64) | CYP1A2CYP2D6MAOAMAOBHTR1A | |
| SCHEMBL13368817 | 0.75 | HRH1 (0.61) | CYP1A2CYP2D6MAOAMAOBHTR1A | |
| SCHEMBL21420902 | 0.74 | ALDH1A1 (0.52) | CYP1A2ALDH1A1TSHRKDM4ELMNA | |
| SCHEMBL2299395 | 0.74 | CYP1A2 (0.69) | CYP1A2CYP2D6MAOAMAOBHTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2145887-B1 | SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR THE PRODUCTION AND USE THEREOF | ALLA CHEM LLC (US) | 2016-04-27 | — | — | EP | claimed |