Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Butyl Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL6030420 | 0.94 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Butyl Alcohol SCHEMBL3046184 | 0.94 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Butyl Alcohol SCHEMBL7693245 | 0.94 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Butyl Alcohol SCHEMBL1501462 | 0.94 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Butyl Alcohol SCHEMBL8509052 | 0.92 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Butyl Alcohol SCHEMBL29968488 | 0.92 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Propanol SCHEMBL28311045 | 0.85 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Ethylene Glycol SCHEMBL27490784 | 0.85 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Butyl Alcohol SCHEMBL8815824 | 0.85 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Potassium Ion SCHEMBL17113317 | 0.84 | TSHR (0.46) | ALDH1A1SMN1; SMN2LMNATSHRCES2 |
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-1223941-A2 | THERAPEUTIC TREATMENTS COMPRISING ADMINISTRATOIN OF CERTAIN STEROIDS FOR BLOOD CELL DEFICIENCIES | Hollis-Eden Pharmaceuticals Inc. (US) | 2002-07-24 | — | — | EP | disclosed |
| EP-1163256-A1 | HEMIHYDRATE OF 16.ALPHA.-BROMOEPIANDROSTERONE | Hollis-Eden Pharmaceuticals Inc. (US) | 2001-12-19 | — | — | EP | disclosed |
| WO-2001030802-A2 | THERAPEUTIC TREATMENTS COMPRISING ADMINISTRATION OF CERTAIN STEROIDS FOR BLOOD CELL DEFICIENCIES | HOLLIS-EDEN PHARMACEUTICALS, INC. (US) | 2001-05-03 | — | — | WO | disclosed |
| WO-2000056757-A1 | IMMUNOMODULATORY STEROIDS, IN PARTICULAR THE HEMIHYDRATE OF 16.ALPHA.-BROMOEPIANDROSTERONE | HOLLIS-EDEN PHARMACEUTICALS, INC. (US) | 2000-09-28 | — | — | WO | disclosed |