Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Decanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 2/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.46 |
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| 1-Pentanol SCHEMBL28777738 | 0.97 | SMN1; SMN2 (0.67) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| Sulfuric Acid SCHEMBL9563634 | 0.92 | LMNA (0.72) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| Cetyl Alcohol SCHEMBL9782972 | 0.92 | LMNA (0.72) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| 1-Hexanol SCHEMBL8015503 | 0.92 | LMNA (0.72) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| Sulfuric Acid SCHEMBL5510760 | 0.92 | LMNA (0.72) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| Myristyl Alcohol SCHEMBL4612309 | 0.92 | LMNA (0.72) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| Octanol SCHEMBL208036 | 0.92 | LMNA (0.72) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| Cetyl Alcohol SCHEMBL1360724 | 0.92 | LMNA (0.72) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| Docosanol SCHEMBL6307010 | 0.92 | LMNA (0.72) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| Cetostearyl Alcohol SCHEMBL28668273 | 0.92 | LMNA (0.72) | LMNAALDH1A1HSD17B10MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0703908-A1 | ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES | G.D. SEARLE & CO. (US) | 1996-04-03 | — | — | EP | disclosed |
| US-5461047-A | Analgesics and treats prostaglandin-E2 mediated diseases in animals | G. D. SEARLE & CO. (US) | 1995-10-24 | — | — | US | disclosed |
| WO-1994029286-A1 | ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES | G.D. SEARLE & CO. (US) | 1994-12-22 | — | — | WO | disclosed |
| US-5354747-A | Analgesics | G. D. SEARLE & CO. (US) | 1994-10-11 | — | — | US | disclosed |