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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 5/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hexadecylamine SCHEMBL28102959 | 0.93 | TSHR (0.44) | TSHRLMNAFAAHDNM1 | |
| Dodecylamine SCHEMBL28784831 | 0.93 | TSHR (0.44) | TSHRLMNAFAAHDNM1 | |
| SCHEMBL28870361 | 0.91 | TSHR (0.45) | TSHRLMNAFAAHSPHK1MAPT | |
| SCHEMBL28870325 | 0.91 | TSHR (0.45) | TSHRLMNAFAAHSPHK1MAPT | |
| SCHEMBL4890058 | 0.91 | TSHR (0.45) | TSHRLMNAFAAHSPHK1MAPT | |
| SCHEMBL4888569 | 0.91 | TSHR (0.45) | TSHRLMNAFAAHSPHK1MAPT | |
| SCHEMBL5269607 | 0.91 | TSHR (0.45) | TSHRLMNAFAAHSPHK1MAPT | |
| SCHEMBL4894569 | 0.91 | TSHR (0.45) | TSHRLMNAFAAHSPHK1MAPT | |
| SCHEMBL4890192 | 0.91 | TSHR (0.45) | TSHRLMNAFAAHSPHK1MAPT | |
| SCHEMBL4892381 | 0.91 | TSHR (0.45) | TSHRLMNAFAAHSPHK1MAPT |
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 |