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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
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 SCHEMBL8633032 | 0.93 | PNMT (0.32) | PNMT | |
| Hexane SCHEMBL8633376 | 0.88 | PNMT (0.33) | PNMT | |
| Hexane SCHEMBL8635358 | 0.84 | PNMT (0.31) | PNMT | |
| Hexane SCHEMBL8634933 | 0.80 | PNMT (0.34) | PNMT | |
| Ethane SCHEMBL8629497 | 0.80 | PNMT (0.34) | PNMT | |
| Hydrochloric Acid SCHEMBL675641 | 0.77 | NPC1 (0.36) | PNMT | |
| Ethane SCHEMBL8633233 | 0.76 | PNMT (0.32) | PNMT | |
| Hydrochloric Acid SCHEMBL674865 | 0.74 | PNMT (0.32) | PNMT | |
| Hydrochloric Acid SCHEMBL673943 | 0.73 | PNMT (0.32) | PNMT | |
| Hydrochloric Acid SCHEMBL674450 | 0.73 | PNMT (0.31) | PNMT |
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 |