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 | 1/20 | 0.50 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.50 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.50 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.50 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.56 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.56 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.54 |
| ▸ | RXRA | P19793 | 1/20 | 0.53 |
| ▸ | RXRB | P28702 | 1/20 | 0.53 |
| ▸ | RXRG | P48443 | 1/20 | 0.53 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | MITF | O75030 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | XBP1 | P17861 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1388211 | 0.93 | PTGER1 (0.60) | ENPP2SGMS2PTGER1RXRARXRB | |
| Water SCHEMBL8980734 | 0.86 | KDM4E (0.55) | SGMS2PTGER1RXRARXRBMEN1 | |
| SCHEMBL8980573 | 0.85 | LRRK2 (0.54) | NPC1RAB9ASMN1; SMN2MRGPRX4LRRK2 | |
| SCHEMBL8980720 | 0.85 | ENPP2 (0.54) | ENPP2SGMS2PTGER1RXRARXRB | |
| SCHEMBL3811276 | 0.84 | KDM4E (0.60) | ENPP2SGMS2NPC1HPGDRAB9A | |
| SCHEMBL1096673 | 0.83 | RXRA (0.57) | ENPP2SGMS2PTGER1RXRARXRB | |
| SCHEMBL5839670 | 0.83 | FABP3 (0.68) | ENPP2SGMS2PTGER1RXRARXRB | |
| SCHEMBL3814086 | 0.82 | PTGER1 (0.64) | PTGER1RXRARXRBRXRGNR4A2 | |
| SCHEMBL5839878 | 0.82 | PTGER1 (0.56) | SGMS2PTGER1RXRARXRBMEN1 | |
| SCHEMBL27702468 | 0.81 | PARP1 (0.65) | ENPP2SGMS2RXRARXRBRXRG |
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 |
|---|---|---|---|---|---|---|---|
| CN-1132508-A | Piperazine derivatives | REORDATI IND CHIMICA E FARMACE (CH) | 1996-10-02 | — | — | CN | disclosed |
| 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 |