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 2)
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 | |
|---|---|---|---|---|
| Ethane SCHEMBL8631444 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL9068769 | 0.88 | HTR2A (0.40) | — | |
| Hexane SCHEMBL8635060 | 0.82 | — | — | |
| Hexane SCHEMBL8633373 | 0.81 | BCHE (0.35) | BCHEACHE | |
| Hexane SCHEMBL8631523 | 0.80 | — | — | |
| Hexane SCHEMBL8631723 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL7050910 | 0.78 | BCHE (0.34) | BCHEACHE | |
| Hexane SCHEMBL8635356 | 0.77 | BCHE (0.32) | BCHEACHE | |
| Hexane SCHEMBL8632167 | 0.77 | BCHE (0.32) | BCHEACHE | |
| Hexane SCHEMBL8631860 | 0.77 | — | — |
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-5776851-A | COORDINATION POLYMERIZATION CATALYST | TARGOR GMBH (DE) | 1998-07-07 | — | — | US | claimed |
| US-5776851-A | COORDINATION POLYMERIZATION CATALYST | TARGOR GMBH (DE) | 1998-07-07 | — | — | US | disclosed |