Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 3/20 | 0.53 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.53 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.50 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.50 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.50 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.49 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.54 |
| ▸ | VDR | P11473 | 1/20 | 0.53 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | APEX1 | P27695 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1388008 | 0.94 | MRGPRX4 (0.59) | LRRK2VDRMRGPRX4HTR1AABCB1 | |
| Water SCHEMBL8980729 | 0.85 | RXRA (0.52) | ABCB1RAB9AKDM4ENPC1GAA | |
| SCHEMBL8980717 | 0.85 | ENPP2 (0.56) | LRRK2MRGPRX4HTR1ARAB9ANPC1 | |
| SCHEMBL8980585 | 0.84 | ABCB1 (0.52) | LRRK2VDRMRGPRX4HTR1AABCB1 | |
| SCHEMBL1097263 | 0.84 | MRGPRX4 (0.56) | LRRK2VDRMRGPRX4HTR1AABCB1 | |
| SCHEMBL5839701 | 0.83 | ABCB1 (0.58) | LRRK2VDRMRGPRX4ABCB1RAB9A | |
| SCHEMBL7907533 | 0.82 | MAOB (0.62) | MRGPRX4HTR1AABCB1DRD2RAB9A | |
| SCHEMBL5839266 | 0.82 | FFAR1 (0.56) | MRGPRX4RAB9ANPC1SMN1; SMN2CTSV | |
| Water SCHEMBL8980772 | 0.81 | CAPN1 (0.55) | MRGPRX4KEAP1NFE2L2 | |
| SCHEMBL1646693 | 0.80 | LRRK2 (0.69) | LRRK2MRGPRX4KDM4EPOLBMAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0711288-A1 | PIPERAZINE DERIVATIVES AS ALPHA 1A-ADRENERGIC RECEPTOR ANTAGONISTS | RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) | 1996-05-15 | — | — | EP | disclosed |
| WO-1995004049-A1 | PIPERAZINE DERIVATIVES AS α1A-ADRENERGIC RECEPTOR ANTAGONISTS | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1995-02-09 | — | — | WO | disclosed |