Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Hexadecane. 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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.43 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.43 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.40 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.40 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.69 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.58 |
| ▸ | THRB | P10828 | 3/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | HRH2 | P25021 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9505548 | 0.95 | TSHR (0.77) | TSHRDNM1THRBCHRM2CHRM4 | |
| SCHEMBL10939056 | 0.95 | TSHR (0.77) | TSHRDNM1THRBCHRM2CHRM4 | |
| SCHEMBL29139797 | 0.95 | TSHR (0.77) | TSHRDNM1THRBCHRM2CHRM4 | |
| SCHEMBL9806862 | 0.94 | TSHR (0.75) | TSHRDNM1THRBCHRM2CHRM4 | |
| SCHEMBL28905711 | 0.93 | TSHR (0.74) | TSHRDNM1THRBCHRM2CHRM4 | |
| Dodecylamine SCHEMBL28732701 | 0.93 | TSHR (0.59) | TSHRDNM1THRBCHRM2CHRM4 | |
| Hexadecylamine SCHEMBL28102958 | 0.93 | TSHR (0.59) | TSHRDNM1THRBCHRM2CHRM4 | |
| Chloromethane SCHEMBL3318985 | 0.92 | TSHR (0.73) | TSHRDNM1THRBCHRM2CHRM4 | |
| SCHEMBL1704602 | 0.92 | TSHR (0.66) | TSHRDNM1THRBCHRM2CHRM4 | |
| SCHEMBL8424369 | 0.92 | TSHR (0.66) | TSHRDNM1THRBCHRM2CHRM4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1177104-B1 | INKJET RECEPTOR MEDIUM HAVING A MULTI-STAGED INK MIGRATION INHIBITOR | 3M INNOVATIVE PROPERTIES CO (US) | 2007-03-28 | — | — | EP | claimed |
| US-6514599-B1 | Highly water soluble polymer such as vinylpyrrolidone-acrylic acid-dimethylaminoethyl acrylate methylchloride terpolymer immobilizing pigment particles and dispersants | 3M INNOVATIVE PROPERTIES COMPANY | 2003-02-04 | — | — | US | claimed |
| EP-1177104-A1 | INKJET RECEPTOR MEDIUM HAVING A MULTI-STAGED INK MIGRATION INHIBITOR | 3M Innovative Properties Company (US) | 2002-02-06 | — | — | EP | claimed |
| WO-2000063023-A1 | INKJET RECEPTOR MEDIUM HAVING A MULTI-STAGED INK MIGRATION INHIBITOR | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2000-10-26 | — | — | WO | claimed |
| EP-1177104-A1 | INKJET RECEPTOR MEDIUM HAVING A MULTI-STAGED INK MIGRATION INHIBITOR | 3M Innovative Properties Company (US) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000063023-A1 | INKJET RECEPTOR MEDIUM HAVING A MULTI-STAGED INK MIGRATION INHIBITOR | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2000-10-26 | — | — | WO | disclosed |