Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dodecanoate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.50 |
| ▸ | PPARG | P37231 | 7/20 | 0.50 |
| ▸ | PPARD | Q03181 | 7/20 | 0.50 |
| ▸ | PPARA | Q07869 | 7/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TLR2 | O60603 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | FABP4 | P15090 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.50 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Stearic Acid SCHEMBL7086379 | 1.00 | GPR84 (0.50) | GPR84PPARGPPARDPPARAHDAC11 | |
| Stearic Acid SCHEMBL7086383 | 1.00 | GPR84 (0.50) | GPR84PPARGPPARDPPARAHDAC11 | |
| Palmitic Acid SCHEMBL10937075 | 1.00 | GPR84 (0.50) | GPR84PPARGPPARDPPARAHDAC11 | |
| Oleic Acid SCHEMBL157681 | 0.92 | PPARG (0.57) | PPARGPPARDPPARATSHRPTPN1 | |
| Oleic Acid SCHEMBL157682 | 0.92 | PPARG (0.57) | PPARGPPARDPPARATSHRPTPN1 | |
| Oleic Acid SCHEMBL22042310 | 0.92 | PPARG (0.57) | PPARGPPARDPPARATSHRPTPN1 | |
| Oleic Acid SCHEMBL10939346 | 0.85 | PPARG (0.49) | PPARGPPARDPPARATSHRPTPN1 | |
| Oleic Acid SCHEMBL5197277 | 0.85 | PPARG (0.49) | PPARGPPARDPPARATSHRPTPN1 | |
| SCHEMBL23870660 | 0.83 | CNR1 (0.44) | LMNA | |
| SCHEMBL19334194 | 0.83 | CNR1 (0.44) | LMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9402802-B2 | Topical compositions comprising ascomycins | MEDA PHARMA SARL (LU) | 2016-08-02 | — | — | US | disclosed |
| US-20120202841-A1 | Topical Compositions Comprising Ascomycins | MEDA PHARMA SARL (LU) | 2012-08-09 | — | — | US | disclosed |
| US-20060058279-A1 | Topical compositions comprising ascomycins | NOVARTIS AG (CH) | 2006-03-16 | — | — | US | disclosed |
| CN-1213767-C | Topical compositions comprising ascomycins | NOVARTIS AG (CH) | 2005-08-10 | — | — | CN | disclosed |
| EP-1135163-B1 | TOPICAL COMPOSITIONS COMPRISING ASCOMYCINS | NOVARTIS AG (CH) | 2004-10-06 | — | — | EP | disclosed |
| CN-1329507-A | Topical compositions comprising ascomycins | NOVARTIS AG (CH) | 2002-01-02 | — | — | CN | disclosed |
| US-20010051650-A1 | Topical administration of 33-epi-chloro-33- desoxy-ascomycin which comprises a carrier vehicle containing urea, inorganic salt and carboxylic acid, means for retaining water in outer skin, a hydrocarbon to hinder water evaporating from the skin | KRIWET KATRIN (DE) | 2001-12-13 | — | — | US | disclosed |
| EP-1135163-A1 | TOPICAL COMPOSITIONS COMPRISING ASCOMYCINS | Novartis AG (CH) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000032234-A1 | TOPICAL COMPOSITIONS COMPRISING ASCOMYCINS | NOVARTIS AG (CH) | 2000-06-08 | — | — | WO | disclosed |