Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isobutyramide. 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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Isobutyramide SCHEMBL9687358 | 0.89 | — | — | |
| Isobutyramide SCHEMBL10569453 | 0.86 | TSHR (0.38) | TSHRCA1CA2EPHX1ALDH1A1 | |
| Propylene Glycol SCHEMBL8562905 | 0.83 | TDP1 (0.59) | TDP1TSHRCA1CA2EPHX1 | |
| Propylene Glycol SCHEMBL8832136 | 0.83 | — | — | |
| Isobutyramide SCHEMBL27459873 | 0.82 | LMNA (0.45) | TDP1TSHRCA1CA2EPHX1 | |
| Isobutyramide SCHEMBL6027666 | 0.81 | LMNA (0.50) | TDP1TSHRCA1CA2OR51E2 | |
| Propylene Glycol SCHEMBL27548540 | 0.80 | — | — | |
| Propylene Glycol SCHEMBL7708272 | 0.80 | — | — | |
| Propylene Glycol SCHEMBL28349323 | 0.80 | TDP1 (0.83) | TDP1TSHRALDH1A1LMNA | |
| Propylene Glycol SCHEMBL600550 | 0.80 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6353124-B1 | NONSTEROIDAL ANTIINFLAMMATORY AGENTS (ASPIRIN, INDOMETHACIN, OR IBUPROFEN) LINKED BY TRIS AMINE OR ETHANOLAMINE DERIVATIVE TO THE ACYL GROUPS OF FATTY ACIDS; IMPROVED TRANSDERMAL DELIVERY | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2002-03-05 | — | — | US | disclosed |
| EP-0712389-B1 | THERAPEUTIC COMPOUND - FATTY ACID CONJUGATES | COMMW SCIENT IND RES ORG (AU) | 2001-01-24 | — | — | EP | disclosed |
| US-5792786-A | SUSTAINED AND PROLONGED WOUND HEALING AGENTS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 1998-08-11 | — | — | US | disclosed |
| EP-0712389-A4 | THERAPEUTIC COMPOUND - FATTY ACID CONJUGATES | COMMW SCIENT IND RES ORG (AU) | 1997-04-09 | — | — | EP | disclosed |
| EP-0712389-A1 | THERAPEUTIC COMPOUND - FATTY ACID CONJUGATES | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 1996-05-22 | — | — | EP | disclosed |
| WO-1995004030-A1 | THERAPEUTIC COMPOUND - FATTY ACID CONJUGATES | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 1995-02-09 | — | — | WO | disclosed |