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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 1/20 | 0.32 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 2/20 | 0.32 |
| ▸ | CCND1 | P24385 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6846966 | 0.90 | CDK4 (0.34) | GABBR2GABBR1CDK4CCND1 | |
| SCHEMBL6843112 | 0.83 | ERN1 (0.34) | — | |
| Sulfuric Acid SCHEMBL8642015 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL38660766 | 0.66 | GABBR2 (0.47) | GABBR2GABBR1CDK4CCND1 | |
| SCHEMBL2032295 | 0.65 | SENP2 (0.40) | — | |
| Sulfuric Acid SCHEMBL21546023 | 0.65 | ACHE (0.39) | GABBR2GABBR1CDK4CCND1 | |
| SCHEMBL6842711 | 0.64 | ERN1 (0.52) | — | |
| SCHEMBL1048378 | 0.64 | CDK4 (0.38) | CDK4CCND1 | |
| SCHEMBL7258077 | 0.62 | ALDH1A1 (0.45) | CDK4CCND1 | |
| SCHEMBL13763239 | 0.62 | ALDH1A1 (0.45) | CDK4CCND1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1139990-B1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KGAA (DE) | 2004-05-06 | — | — | EP | claimed |