Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hexadecane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.80 |
| ▸ | THRB | P10828 | 1/20 | 0.80 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Decane SCHEMBL17434820 | 1.00 | TSHR (0.80) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Heptane SCHEMBL26602951 | 0.90 | TSHR (0.80) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Heptane SCHEMBL27709144 | 0.90 | TSHR (0.80) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Decane SCHEMBL4321452 | 0.90 | TSHR (0.80) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Heptane SCHEMBL8995511 | 0.90 | TSHR (0.80) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Heptane SCHEMBL23925128 | 0.90 | — | — | |
| Tetradecane SCHEMBL23924271 | 0.89 | TSHR (1.00) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Tetradecane SCHEMBL10526119 | 0.89 | TSHR (1.00) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Decane SCHEMBL23499900 | 0.89 | TSHR (1.00) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Undecane SCHEMBL20767628 | 0.89 | TSHR (1.00) | TSHRTHRBLMNADNM1ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2841543-B1 | IMPROVEMENTS RELATING TO FABRIC FRESHNESS | UNILEVER PLC (GB) | 2016-01-20 | — | — | EP | disclosed |
| EP-1285055-A1 | TARGETED MOIETIES FOR USE IN BLEACH CATALYSTS | UNILEVER PLC (GB) | 2003-02-26 | — | — | EP | disclosed |
| EP-1240378-A1 | METHOD OF TREATING A TEXTILE | UNILEVER PLC (GB) | 2002-09-18 | — | — | EP | disclosed |
| WO-2001092455-A1 | TARGETED MOIETIES FOR USE IN BLEACH CATALYSTS | UNILEVER PLC (GB) | 2001-12-06 | — | — | WO | disclosed |
| WO-2001048298-A1 | METHOD OF TREATING A TEXTILE | UNILEVER PLC (GB) | 2001-07-05 | — | — | WO | disclosed |