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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 4/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5160557 | 0.77 | CA2 (0.52) | CYP3A4TSHRNFKB1NPSR1LMNA | |
| SCHEMBL30010202 | 0.77 | CA4 (0.50) | CYP3A4TSHRNFKB1NPSR1LMNA | |
| SCHEMBL4612400 | 0.77 | — | — | |
| SCHEMBL1913400 | 0.77 | CA2 (0.52) | CYP3A4TSHRNFKB1NPSR1LMNA | |
| Lithium Ion SCHEMBL5144792 | 0.77 | CYP3A4 (0.44) | CYP3A4TSHRNFKB1NPSR1LMNA | |
| SCHEMBL5142316 | 0.77 | CYP3A4 (0.44) | CYP3A4TSHRNFKB1NPSR1LMNA | |
| Potassium Ion SCHEMBL2701666 | 0.77 | CYP3A4 (0.44) | CYP3A4TSHRNFKB1NPSR1LMNA | |
| SCHEMBL2782576 | 0.77 | CYP3A4 (0.48) | CYP3A4TSHRNFKB1NPSR1LMNA | |
| Water SCHEMBL5159517 | 0.75 | CA2 (0.50) | CYP3A4TSHRNFKB1NPSR1LMNA | |
| Bicarbonate SCHEMBL3814863 | 0.73 | CA2 (0.54) | CYP3A4TSHRNFKB1NPSR1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6572972-B2 | Mixture of organobismuth compound and epoxy resin binder | SOLUTIA AUSTRIA GMBH (AT) | 2003-06-03 | — | — | US | disclosed |
| US-20030021999-A1 | Aqueous binders | MONCHEM INTERNATIONAL, INC. | 2003-01-30 | — | — | US | disclosed |