Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL8605127 | 0.89 | KDM4E (0.36) | CNR1TLR8CNR2SLC6A4DRD2 | |
| Hexane SCHEMBL8602708 | 0.81 | CNR1 (0.34) | CNR1TLR8CNR2ALOX15HTR7 | |
| Hexane SCHEMBL8606885 | 0.80 | — | — | |
| Hexane SCHEMBL8604593 | 0.80 | TLR8 (0.35) | CNR1TLR8CNR2ALOX15SLC6A4 | |
| Hexane SCHEMBL8635315 | 0.78 | CNR1 (0.34) | CNR1TLR8CNR2ALOX15HTR7 | |
| Hydrochloric Acid SCHEMBL29790401 | 0.77 | KDM1A (0.32) | SLC6A4 | |
| Hydrochloric Acid SCHEMBL819364 | 0.77 | ALOX5 (0.33) | SLC6A4 | |
| SCHEMBL8074043 | 0.77 | PPARG (0.35) | CNR1CNR2ALOX15HTR7SLC6A4 | |
| Hydrochloric Acid SCHEMBL2535528 | 0.77 | KDM1A (0.32) | SLC6A4 | |
| Hexane SCHEMBL8632481 | 0.76 | CRHR1 (0.32) | CNR1TLR8CNR2ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-5770752-A | Process for reducing the concentration of by-products in product mixtures | TARGOR GMBH (DE) | 1998-06-23 | — | — | US | disclosed |