Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | EED | O75530 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | AR | P10275 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4564958 | 0.85 | HRH1 (0.50) | HTR2AHTR2CSLC6A2SLC6A4HTR1A | |
| SCHEMBL4335524 | 0.80 | AR (0.40) | HTR2AHTR2CSLC6A2SIGMAR1HTR1A | |
| SCHEMBL4478245 | 0.78 | HRH3 (0.48) | HRH1 | |
| SCHEMBL4481591 | 0.78 | HRH1 (0.42) | HTR2CHRH1OPRK1 | |
| SCHEMBL23508701 | 0.77 | HTR2C (0.45) | HTR2AHTR2CSLC6A2CHRNB2CHRNB4 | |
| SCHEMBL25707304 | 0.77 | HTR2C (0.45) | HTR2AHTR2CSLC6A2CHRNB2CHRNB4 | |
| Hydrochloric Acid SCHEMBL30486474 | 0.76 | HTR2C (0.44) | HTR2AHTR2CSLC6A2CHRNB2CHRNB4 | |
| Hydrochloric Acid SCHEMBL30486634 | 0.76 | HTR2C (0.44) | HTR2AHTR2CSLC6A2CHRNB2CHRNB4 | |
| Hydrochloric Acid SCHEMBL25347445 | 0.76 | HTR2C (0.44) | HTR2AHTR2CSLC6A2CHRNB2CHRNB4 | |
| SCHEMBL24879518 | 0.75 | HTR2C (0.56) | HTR2AHTR2CSLC6A2SIGMAR1HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009039431-A2 | SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES | NEUROGEN CORPORATION (US) | 2009-03-26 | — | — | WO | disclosed |