Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 15/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 11/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18550356 | 0.82 | HTR2C (0.53) | HTR2CPOLBSMN1; SMN2HTR2BHTR2A | |
| SCHEMBL12490852 | 0.79 | HTR2C (0.78) | HTR2CPOLBSMN1; SMN2HTR2BHTR2A | |
| Hydrochloric Acid SCHEMBL6298979 | 0.78 | HTR2C (0.76) | HTR2CPOLBSMN1; SMN2HTR2BHTR2A | |
| SCHEMBL1017330 | 0.78 | HTR2C (0.52) | HTR2CPOLBSMN1; SMN2HTR2BHTR2A | |
| SCHEMBL16836140 | 0.77 | HTR2C (0.55) | HTR2CPOLBSMN1; SMN2HTR2BHTR2A | |
| SCHEMBL18549919 | 0.76 | DHFR (0.50) | HTR2CHTR2B | |
| SCHEMBL18549787 | 0.76 | HTR2C (0.50) | HTR2CPOLBSMN1; SMN2HTR2BHTR2A | |
| SCHEMBL18549785 | 0.76 | HTR2C (0.50) | HTR2CPOLBSMN1; SMN2HTR2BHTR2A | |
| SCHEMBL18550477 | 0.76 | HTR2C (0.56) | HTR2CHTR2ACHRM4CHRM5CHRM1 | |
| SCHEMBL18549884 | 0.73 | HTR2C (0.50) | HTR2CPOLBSMN1; SMN2HTR2BHTR2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1998620-A4 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | NEUROGEN CORP (US) | 2009-09-02 | — | — | EP | disclosed |
| EP-1998620-A2 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | Neurogen Corporation (US) | 2008-12-10 | — | — | EP | disclosed |
| WO-2007106349-A2 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2007-09-20 | — | — | WO | disclosed |