Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 8/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.38 |
| ▸ | HTR3B | O95264 | 2/20 | 0.38 |
| ▸ | HTR3A | P46098 | 2/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.35 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27891006 | 0.70 | HTR2C (0.34) | HTR2A | |
| SCHEMBL10273036 | 0.67 | — | — | |
| SCHEMBL27598894 | 0.67 | HTR3E (0.39) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL28033389 | 0.64 | ADRB1 (0.35) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL7570070 | 0.64 | ALDH1A1 (0.45) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL22436434 | 0.64 | ADRB1 (0.39) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL16556908 | 0.64 | KDM4E (0.39) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL7302082 | 0.62 | HTR2C (0.39) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL27597524 | 0.62 | ADRB1 (0.41) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL13650809 | 0.61 | ALDH1A1 (0.38) | ADRB1SIGMAR1HTR3EHTR3BHTR3A |
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 |
|---|---|---|---|---|---|---|---|
| CN-102947310-A | Fused pyridine compounds as dual modulators of the 5-HT2A and D3 receptors | HOFFMANN LA ROCHE | 2013-02-27 | — | — | CN | disclosed |