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 | |
|---|---|---|---|---|
| ▸ | MCL1 known ✓ | Q07820 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | FABP4 | P15090 | 5/20 | 0.53 |
| ▸ | FABP5 | Q01469 | 5/20 | 0.53 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.53 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.51 |
| ▸ | FABP3 | P05413 | 2/20 | 0.50 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1388155 | 0.92 | HTT (0.77) | TP53HTTALDH1A1MCL1FABP4 | |
| SCHEMBL8980613 | 0.85 | ALDH1A1 (0.59) | TP53HTTALDH1A1KMT2AKDM4E | |
| SCHEMBL8980684 | 0.83 | ALDH1A1 (0.54) | TP53HTTALDH1A1MCL1FABP4 | |
| SCHEMBL5839333 | 0.82 | HTT (0.71) | TP53HTTALDH1A1MCL1FABP4 | |
| SCHEMBL8278415 | 0.81 | TP53 (0.61) | TP53HTTALDH1A1MCL1FABP4 | |
| SCHEMBL5663261 | 0.81 | FABP4 (0.74) | TP53HTTALDH1A1MCL1FABP4 | |
| SCHEMBL8980619 | 0.81 | ALDH1A1 (0.54) | TP53HTTALDH1A1FABP4FABP5 | |
| Water SCHEMBL8980734 | 0.80 | KDM4E (0.55) | MCL1MRGPRX4SGMS2MEN1KMT2A | |
| SCHEMBL2601420 | 0.80 | TP53 (1.00) | TP53HTTALDH1A1MCL1FABP4 | |
| SCHEMBL5839388 | 0.80 | TP53 (0.68) | TP53HTTALDH1A1MCL1FABP4 |
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 |