Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 4/20 | 0.42 |
| ▸ | HTR2C | P28335 | 4/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3192640 | 0.92 | ADRB1 (0.44) | SIGMAR1HSP90AA1ADRB1HTR2AHTR2C | |
| SCHEMBL4507584 | 0.81 | ADRB1 (0.51) | CYP1A2HPGDTSHRSIGMAR1ADRB1 | |
| SCHEMBL5332592 | 0.80 | HCRTR1 (0.51) | ADRB1HTR2AHTR2CHTR1ADRD2 | |
| SCHEMBL4062289 | 0.79 | ADRB1 (0.49) | CYP1A2HPGDTSHRSIGMAR1ADRB1 | |
| SCHEMBL9765989 | 0.76 | ADRB1 (0.49) | CYP1A2HPGDTSHRSIGMAR1ADRB1 | |
| SCHEMBL27818370 | 0.76 | ADRB1 (0.51) | CYP1A2TSHRSIGMAR1ADRB1HTR2A | |
| SCHEMBL21891714 | 0.75 | GAA (0.56) | CYP1A2GAAHPGDTSHRHSP90AA1 | |
| SCHEMBL6132585 | 0.75 | TSHR (0.56) | GAATSHRSIGMAR1ADRB1HTR2A | |
| SCHEMBL14648298 | 0.74 | HCRTR1 (0.53) | CYP1A2GAAHTR1AHCRTR1HCRTR2 | |
| SCHEMBL4458672 | 0.73 | ADRB1 (0.56) | CYP1A2HPGDTSHRSIGMAR1ADRB1 |
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 |