Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 2/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | TLR2 | O60603 | 2/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.35 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CETP | P11597 | 1/20 | 0.34 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6890123 | 0.81 | HTR1A (0.43) | HTR2CHTR1ADRD2DRD4HTR2A | |
| SCHEMBL5666312 | 0.78 | HTR2C (0.44) | HTR2CHTR1ADRD2DRD4HTR2A | |
| SCHEMBL14648297 | 0.77 | LIPG (0.42) | PLK1HTT | |
| SCHEMBL6192086 | 0.74 | PLK1 (0.51) | PLK1CYP2C9TSHRHTT | |
| SCHEMBL5915128 | 0.74 | HTR2C (0.51) | HTR2CHTR1ADRD2DRD4HTR2A | |
| Hydrochloric Acid SCHEMBL27354499 | 0.73 | PLK1 (0.50) | PLK1CYP2C9TSHRHTT | |
| SCHEMBL27207267 | 0.73 | ADRB1 (0.42) | HTR1APLK1MAPK8MAPK10MAPK9 | |
| SCHEMBL9283302 | 0.73 | HTR2C (0.50) | HTR2CHTR1ADRD2DRD4HTR2A | |
| SCHEMBL1742847 | 0.71 | ADRB1 (0.51) | HTR1ADRD2HTR2ADRD3MAPK8 | |
| SCHEMBL15923268 | 0.70 | HTT (0.49) | PLK1TSHRHTT |
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-6770649-B2 | PIPERIZINE COMPOUNDS USEFUL FOR TREATING IRRITABLE BOWEL SYNDROME | SOLVAY PHARMACEUTICALS GMBH (DE) | 2004-08-03 | — | — | US | disclosed |