Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Dodecane. 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 | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.32 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.32 |
| ▸ | QPCT | Q16769 | 2/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 4/20 | 0.30 |
| ▸ | RAB9A | P51151 | 4/20 | 0.30 |
| ▸ | HTT | P42858 | 3/20 | 0.30 |
| ▸ | GALR3 | O60755 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 2/20 | 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 | |
|---|---|---|---|---|
| Octane SCHEMBL15537556 | 1.00 | TBXAS1 (0.50) | TBXAS1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| Octane SCHEMBL15537557 | 1.00 | TBXAS1 (0.50) | TBXAS1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| Dodecane SCHEMBL15538248 | 1.00 | TBXAS1 (0.50) | TBXAS1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| Octane SCHEMBL28016307 | 0.98 | TBXAS1 (0.52) | TBXAS1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| Nonane SCHEMBL27924832 | 0.98 | TBXAS1 (0.52) | TBXAS1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| Hexane SCHEMBL28818270 | 0.98 | TBXAS1 (0.47) | TBXAS1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| Hexane SCHEMBL27685943 | 0.96 | TBXAS1 (0.48) | TBXAS1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| Butane SCHEMBL28699816 | 0.90 | TBXAS1 (0.37) | TBXAS1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| SCHEMBL29153550 | 0.90 | TBXAS1 (0.45) | TBXAS1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| SCHEMBL29022436 | 0.90 | TBXAS1 (0.45) | TBXAS1CYP3A4CYP2D6CYP1A2CYP19A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9782748-B2 | Synthesis of polymeric ionic liquids using a photochemical polymerization process | THE UNIVERSITY OF TOLEDO (US) | 2017-10-10 | — | — | US | disclosed |
| WO-2013181345-A2 | SYNTHESIS OF POLYMERIC IONIC LIQUIDS USING A PHOTOCHEMICAL POLYMERIZATION PROCESS | THE UNIVERSITY OF TOLEDO (US) | 2013-12-05 | — | — | WO | disclosed |