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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL336281 | 0.85 | ALDH1A1 (0.46) | ALDH1A1CYP3A4MAPTCYP2D6 | |
| SCHEMBL11858454 | 0.78 | ALDH1A1 (0.40) | ALDH1A1CYP3A4MAPTCYP2D6 | |
| SCHEMBL8574238 | 0.67 | CA2 (0.33) | MAPTCYP2D6BLMKDM4E | |
| Sulfuric Acid SCHEMBL8345264 | 0.67 | CYP2D6 (0.71) | ALDH1A1CYP3A4MAPTCYP2D6BLM | |
| Sulfuric Acid SCHEMBL2466226 | 0.67 | CYP2D6 (0.71) | ALDH1A1CYP3A4MAPTCYP2D6BLM | |
| Sulfuric Acid SCHEMBL26881 | 0.67 | CYP2D6 (0.71) | ALDH1A1CYP3A4MAPTCYP2D6BLM | |
| Tert-Butylamine SCHEMBL17746599 | 0.65 | CA2 (0.41) | CYP3A4CYP2D6BLMKDM4E | |
| Pivalamide SCHEMBL7280681 | 0.64 | CA2 (0.35) | ALDH1A1CYP3A4MAPTCYP2D6BLM | |
| SCHEMBL283408 | 0.63 | — | — | |
| Pimagedine SCHEMBL31430898 | 0.63 | BLM (0.73) | CYP3A4MAPTCYP2D6BLMKDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0922028-A1 | INHIBITORS OF PHOSPHOLIPASE ENZYMES | GENETICS INSTITUTE, INC. (US) | 1999-06-16 | — | — | EP | disclosed |
| EP-0679665-B1 | Polymerization of acrylic acid and derivatives thereof | WAKO PURE CHEM IND LTD (JP) | 1998-12-30 | — | — | EP | disclosed |
| WO-1998008818-A1 | INHIBITORS OF PHOSPHOLIPASE ENZYMES | GENETICS INSTITUTE, INC. (US) | 1998-03-05 | — | — | WO | disclosed |
| US-5563276-A | Polymerization of acrylic acid and derivatives thereof using azoamidoxime salt | WACO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1996-10-08 | — | — | US | disclosed |
| EP-0679665-A1 | Polymerization of acrylic acid and derivatives thereof | WAKO PURE CHEMICAL INDUSTRIES LTD (JP) | 1995-11-02 | — | — | EP | disclosed |