Known targets — ChEMBL curated mechanism
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 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 SCHEMBL239231 | 1.00 | — | — | |
| SCHEMBL3332459 | 0.78 | — | — | |
| Propylene Glycol SCHEMBL6929188 | 0.78 | TDP1 (0.67) | ALDH1A1LMNATDP1TSHR | |
| Propylene Glycol SCHEMBL5547967 | 0.78 | — | — | |
| Dimethyl Sulfoxide SCHEMBL482972 | 0.75 | — | — | |
| Dimethyl Sulfoxide SCHEMBL9350555 | 0.75 | TSHR (0.38) | TSHR | |
| Dimethyl Sulfoxide SCHEMBL8998637 | 0.75 | TSHR (0.38) | TSHR | |
| Dimethyl Sulfoxide SCHEMBL8998649 | 0.75 | TSHR (0.38) | TSHR | |
| Dimethyl Sulfoxide SCHEMBL5245579 | 0.75 | TSHR (0.38) | TSHR | |
| Dimethyl Sulfoxide SCHEMBL8998583 | 0.75 | TSHR (0.38) | TSHR |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2089389-A2 | HETEROCYCLIC COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPA-B ACTIVITY | Bristol-Myers Squibb Company (US) | 2009-08-19 | — | — | EP | disclosed |
| EP-1531810-A4 | SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD | BRISTOL MYERS SQUIBB CO (US) | 2008-05-28 | — | — | EP | disclosed |
| WO-2008057855-A2 | HETEROCYCLIC COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I, AND/OR NP-KAPPA-B ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-15 | — | — | WO | disclosed |
| EP-1534273-A4 | MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD | BRISTOL MYERS SQUIBB CO (US) | 2007-08-22 | — | — | EP | disclosed |
| EP-1401433-A4 | CONFORMATIONALLY CONSTRAINED ANALOGS USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD | BRISTOL MYERS SQUIBB CO (US) | 2005-10-12 | — | — | EP | disclosed |
| EP-1534273-A2 | MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD | Bristol-Myers Squibb Company (US) | 2005-06-01 | — | — | EP | disclosed |
| EP-1531810-A2 | SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004110385-A2 | MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-12-23 | — | — | WO | disclosed |
| EP-1401433-A2 | CONFORMATIONALLY CONSTRAINED ANALOGS USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD | Bristol-Myers Squibb Company (US) | 2004-03-31 | — | — | EP | disclosed |
| EP-1390363-A2 | SUBSTITUTED AZOLE ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD | Bristol-Myers Squibb Company (US) | 2004-02-25 | — | — | EP | disclosed |
| WO-2004009017-A2 | MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-01-29 | — | — | WO | disclosed |
| WO-2004004655-A2 | SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-01-15 | — | — | WO | disclosed |
| EP-1332131-A2 | ACID DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2003-08-06 | — | — | EP | disclosed |
| WO-2002096358-A2 | SUBSTITUTED AZOLE ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-12-05 | — | — | WO | disclosed |
| WO-2002096357-A2 | CONFORMATIONALLY CONSTRAINED ANALOGS USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-12-05 | — | — | WO | disclosed |
| EP-1218361-A1 | OXA- AND THIAZOLE DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2002042273-A2 | ACID DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-05-30 | — | — | WO | disclosed |
| WO-2001021602-A1 | OXA- AND THIAZOLE DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-03-29 | — | — | WO | disclosed |