Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Bimoclomol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSF1 | Q00613 | 14/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Bimoclomol SCHEMBL3059859 | 1.00 | HSF1 (0.49) | HSF1ABCB1MAPK1 | |
| Bimoclomol SCHEMBL19464196 | 1.00 | HSF1 (0.49) | HSF1ABCB1MAPK1 | |
| Bimoclomol SCHEMBL19463209 | 1.00 | HSF1 (0.49) | HSF1ABCB1MAPK1 | |
| Bimoclomol SCHEMBL3059856 | 1.00 | HSF1 (0.49) | HSF1ABCB1MAPK1 | |
| Bimoclomol SCHEMBL3066147 | 1.00 | HSF1 (0.49) | HSF1ABCB1MAPK1 | |
| Bimoclomol SCHEMBL19463989 | 0.92 | HSF1 (0.56) | HSF1ABCB1 | |
| Bimoclomol SCHEMBL19463987 | 0.92 | HSF1 (0.56) | HSF1ABCB1 | |
| Bimoclomol SCHEMBL29576238 | 0.92 | HSF1 (0.56) | HSF1ABCB1 | |
| Bimoclomol SCHEMBL19464202 | 0.92 | HSF1 (0.56) | HSF1ABCB1 | |
| Bimoclomol SCHEMBL19464203 | 0.92 | HSF1 (0.56) | HSF1ABCB1 |
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-7148239-B2 | Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof | CYTRX CORPORATION (US) | 2006-12-12 | — | — | US | disclosed |
| EP-0801649-B1 | HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE MOLECULAR CHAPERON PRODUCTION AND THE PREPARATION THEREOF | BIOREX KUTATO FEJLESZTOE KFT (HU) | 2002-08-07 | — | — | EP | disclosed |