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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.32 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.31 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.31 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.31 |
| ▸ | STS | P08842 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TYR | P14679 | 1/20 | 0.30 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6848030 | 0.93 | ALDH1A1 (0.33) | CYP2A6ALDH1A1KDM4E | |
| SCHEMBL4626490 | 0.91 | CYP2A6 (0.39) | CYP2A6ALDH1A1ALDH3A1ALDH1A3KDM4E | |
| SCHEMBL6847274 | 0.86 | CYP2A6 (0.35) | CYP2A6ALDH1A1ALDH3A1ALDH1A3KDM4E | |
| SCHEMBL6848401 | 0.84 | ALDH1A1 (0.35) | CYP2A6ALDH1A1ALDH3A1ALDH1A3KDM4E | |
| SCHEMBL7048424 | 0.81 | ALDH1A1 (0.40) | ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL6848520 | 0.79 | POLB (0.41) | ALDH1A1KDM4ESTSSMN1; SMN2 | |
| SCHEMBL6847812 | 0.78 | ALDH1A1 (0.34) | CYP2A6ALDH1A1KDM4ESTSSMN1; SMN2 | |
| SCHEMBL4626949 | 0.75 | CYP2A6 (0.43) | CYP2A6ALDH1A1ALDH3A1ALDH1A3KDM4E | |
| SCHEMBL6847147 | 0.74 | HPGD (0.47) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL6843056 | 0.73 | USP2 (0.38) | ALDH1A1KDM4ESTSSMN1; SMN2 |
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 4 patents. 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 |
| EP-1139990-A1 | AGENT FOR DYING KERATIN FIBERS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2001-10-10 | — | — | EP | claimed |
| WO-2000038635-A1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2000-07-06 | — | — | WO | claimed |
| EP-1139990-B1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KGAA (DE) | 2004-05-06 | — | — | EP | disclosed |