Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.72 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.58 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.56 |
| ▸ | FABP3 | P05413 | 7/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3438387 | 1.00 | CA2 (0.72) | CA2NFKB1GPR84FABP3CYP3A4 | |
| SCHEMBL5684533 | 1.00 | CA2 (0.72) | CA2NFKB1GPR84FABP3CYP3A4 | |
| Water SCHEMBL9702527 | 0.96 | CA2 (0.68) | CA2NFKB1GPR84FABP3CYP3A4 | |
| Potassium Ion SCHEMBL9246555 | 0.96 | CA2 (0.72) | CA2NFKB1GPR84FABP3CYP3A4 | |
| SCHEMBL3685429 | 0.96 | CA2 (0.72) | CA2NFKB1GPR84FABP3CYP3A4 | |
| Zinc Ion SCHEMBL9806605 | 0.96 | CA2 (0.72) | CA2NFKB1GPR84FABP3CYP3A4 | |
| Lithium Ion SCHEMBL11438840 | 0.96 | CA2 (0.72) | CA2NFKB1GPR84FABP3CYP3A4 | |
| SCHEMBL16972964 | 0.96 | CA2 (0.72) | CA2NFKB1GPR84FABP3CYP3A4 | |
| Lithium Ion SCHEMBL5680426 | 0.96 | CA2 (0.72) | CA2NFKB1GPR84FABP3CYP3A4 | |
| SCHEMBL9577313 | 0.96 | CA2 (0.72) | CA2NFKB1GPR84FABP3CYP3A4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1663165-B1 | IMPROVED STEARATE COMPOSITION AND METHOD OF PRODUCTION THEREOF | MALLINCKRODT INC (US) | 2008-12-03 | — | — | EP | disclosed |
| US-7456306-B2 | Stearate composition and method of production thereof | MALLINCKRODT INC (US) | 2008-11-25 | — | — | US | disclosed |
| US-7385068-B2 | Stearate composition and method | MALLINCKRODT INC. (US) | 2008-06-10 | — | — | US | disclosed |
| EP-1781259-A2 | IMPROVED STEARATE COMPOSITION AND METHOD OF PRODUCTION THEREOF | MALLINCKRODT, INC. (US) | 2007-05-09 | — | — | EP | disclosed |
| US-20060281937-A1 | Stearate composition and method | SpecGx LLC | 2006-12-14 | — | — | US | disclosed |
| US-20060247456-A1 | Stearate composition and method of production thereof | SpecGx LLC | 2006-11-02 | — | — | US | disclosed |
| EP-1663165-A2 | IMPROVED STEARATE COMPOSITION AND METHOD OF PRODUCTION THEREOF | MALLINCKRODT, INC. (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2006023035-A2 | IMPROVED STEARATE COMPOSITION AND METHOD OF PRODUCTION THEREOF | MALLINCKRODT INC. (US) | 2006-03-02 | — | — | WO | disclosed |
| WO-2005011641-A2 | IMPROVED STEARATE COMPOSITION AND METHOD OF PRODUCTION THEREOF | MALLINCKRODT, INC. (US) | 2005-02-10 | — | — | WO | disclosed |