Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Isopropyl Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL3361371 | 0.93 | ALDH1A1 (0.40) | ALDH1A1LMNATSHRTDP1 | |
| Methyl Alcohol SCHEMBL6633947 | 0.82 | — | — | |
| Alcohol SCHEMBL6629376 | 0.76 | — | — | |
| Isopropyl Alcohol SCHEMBL27768967 | 0.68 | — | — | |
| Isopropyl Alcohol SCHEMBL27612914 | 0.68 | — | — | |
| Isopropyl Alcohol SCHEMBL5722155 | 0.68 | — | — | |
| Isopropyl Alcohol SCHEMBL31749076 | 0.64 | — | — | |
| Isopropyl Alcohol SCHEMBL8073621 | 0.64 | — | — | |
| Isopropyl Alcohol SCHEMBL27846275 | 0.64 | — | — | |
| Isopropyl Alcohol SCHEMBL7740141 | 0.64 | ALDH1A1 (0.75) | ALDH1A1LMNATSHRTDP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1394162-A1 | Intermediates of azole antifungal agents and processes for the preparation thereof | Eisai Co., Ltd. (JP) | 2004-03-03 | — | — | EP | disclosed |
| EP-1394142-A1 | Carboxylic acid intermediates of antifungal agents and processes for the preparation thereof | Eisai Co., Ltd. (JP) | 2004-03-03 | — | — | EP | disclosed |
| EP-1231210-A2 | Azole antifungal agents, processes for the preparation thereof, and intermediates | Eisai Co., Ltd. (JP) | 2002-08-14 | — | — | EP | disclosed |
| US-5792781-A | EFFECTIVE AGAINST DERMATOMYCOSIS/VISCEROMYCOSIS CAUSED BY FUNGI, I.E., CANDIDA ALBICANS | EISAI CO., LTD. (JP) | 1998-08-11 | — | — | US | disclosed |
| US-5789429-A | FUNGICIDE | EISAI CO., LTD. (JP) | 1998-08-04 | — | — | US | disclosed |
| US-5648372-A | TRIAZOLES | EISAI CO., LTD. (JP) | 1997-07-15 | — | — | US | disclosed |
| EP-0667346-A2 | Azole antifungal agents, process for the preparation there of and intermediates | Eisai Co., Ltd. (JP) | 1995-08-16 | — | — | EP | disclosed |