Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 7/20 | 0.61 |
| ▸ | HTR1A | P08908 | 3/20 | 0.57 |
| ▸ | HTR2A | P28223 | 2/20 | 0.57 |
| ▸ | HTR2C | P28335 | 2/20 | 0.57 |
| ▸ | DRD2 | P14416 | 1/20 | 0.57 |
| ▸ | DRD4 | P21917 | 1/20 | 0.57 |
| ▸ | DRD3 | P35462 | 1/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.56 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.53 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.51 |
| ▸ | HTR3B | O95264 | 4/20 | 0.51 |
| ▸ | HTR3A | P46098 | 4/20 | 0.51 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.51 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.51 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4934648 | 0.98 | ADRB1 (0.59) | ADRB1HTR1AHTR2AHTR2CDRD2 | |
| SCHEMBL4940896 | 0.89 | ADRB1 (0.53) | ADRB1HTR1AHTR2AHTR2CDRD2 | |
| SCHEMBL19709300 | 0.81 | ADRB1 (0.56) | ADRB1HTR1ACHRM2CHRM4CHRM1 | |
| SCHEMBL7507944 | 0.80 | ADRB1 (0.62) | ADRB1HTR1ACHRM2CHRM4CHRM1 | |
| SCHEMBL335755 | 0.80 | ADRB1 (0.62) | ADRB1HTR1ACHRNB2CHRNA4HTR3E | |
| SCHEMBL14922720 | 0.80 | DRD2 (0.56) | HTR1AHTR2AHTR2CDRD2DRD4 | |
| SCHEMBL11528433 | 0.79 | ADRB1 (0.62) | ADRB1HTR1AHTR2AHTR2CCHRM2 | |
| SCHEMBL19709419 | 0.79 | ADRB1 (0.53) | ADRB1HTR1ACHRM2CHRM4CHRM1 | |
| SCHEMBL11530002 | 0.79 | ADRB1 (0.67) | ADRB1HTR1AHTR2AHTR2CDRD2 | |
| SCHEMBL4939296 | 0.79 | ADRB1 (0.61) | ADRB1HTR1ACHRM2CHRM4CHRM1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4139621-A | TRANQUILIZERS | BEECHAM GROUP LIMITED (GB) | 1979-02-13 | — | — | US | claimed |
| EP-1856077-A1 | PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2007-11-21 | — | — | EP | disclosed |
| WO-2006094843-A1 | PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-09-14 | — | — | WO | disclosed |
| EP-0931067-B1 | D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2002-06-26 | — | — | EP | disclosed |
| US-6258813-B1 | BIOLOGICAL RECEPTORS WITH TETRAHYDROPIPERIZINE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT (DE) | 2001-07-10 | — | — | US | disclosed |
| EP-0931067-A1 | D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES | MERCK PATENT GmbH (DE) | 1999-07-28 | — | — | EP | disclosed |
| WO-1998011068-A1 | D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1998-03-19 | — | — | WO | disclosed |
| US-4139621-A | TRANQUILIZERS | BEECHAM GROUP LIMITED (GB) | 1979-02-13 | — | — | US | disclosed |