Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Hexane. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.70 |
| ▸ | THRB | P10828 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.53 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.50 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Tetradecane SCHEMBL29004102 | 0.95 | TSHR (0.80) | TSHRTHRBLMNADNM1SLC22A1 | |
| Hexane SCHEMBL1927810 | 0.94 | — | — | |
| Hexane SCHEMBL1790665 | 0.94 | — | — | |
| Hexane SCHEMBL7890225 | 0.94 | TSHR (0.78) | TSHRTHRBLMNADNM1SLC22A1 | |
| Hexane SCHEMBL7890227 | 0.94 | — | — | |
| Tetradecane SCHEMBL25287499 | 0.89 | TSHR (0.89) | TSHRTHRBLMNADNM1SLC22A1 | |
| Methane SCHEMBL18550551 | 0.89 | TSHR (0.89) | TSHRTHRBLMNADNM1SLC22A1 | |
| Nonane SCHEMBL9775419 | 0.89 | TSHR (0.89) | TSHRTHRBLMNADNM1SLC22A1 | |
| Hexane SCHEMBL15363659 | 0.89 | TSHR (0.70) | TSHRTHRBLMNADNM1SLC22A1 | |
| Decane SCHEMBL22470775 | 0.89 | TSHR (0.89) | TSHRTHRBLMNADNM1SLC22A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-217473542-U | Hexyl hexamethyl ammonium dibromide production facility | 河南维诺生物科技有限公司 | 2022-09-23 | — | — | CN | disclosed |