Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 3/20 | 0.47 |
| ▸ | PPARA | Q07869 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5691818 | 0.83 | PPARG (0.61) | PPARGPPARAKMT2AMAPTKCNN4 | |
| SCHEMBL27757832 | 0.80 | MAPT (0.55) | PPARGPPARAKMT2AMAPTKCNN4 | |
| SCHEMBL1820577 | 0.77 | PPARG (0.46) | PPARGPPARAKMT2AMAPTKCNN4 | |
| SCHEMBL1819039 | 0.77 | PPARA (0.46) | PPARGPPARAKMT2AMAPTKCNN4 | |
| SCHEMBL1818640 | 0.77 | HDAC3 (0.58) | PPARGPPARAKCNN4HDAC3HDAC4 | |
| SCHEMBL1821867 | 0.76 | PPARA (0.45) | PPARGPPARAKMT2AMAPTKCNN4 | |
| SCHEMBL1823516 | 0.76 | PPARA (0.45) | PPARGPPARAKMT2AMAPTKCNN4 | |
| SCHEMBL1820819 | 0.76 | PPARA (0.45) | PPARGPPARAKMT2AMAPTKCNN4 | |
| SCHEMBL7033474 | 0.76 | PPARA (0.47) | PPARGPPARAKMT2AMAPTCYP2C19 | |
| Potassium Ion SCHEMBL11787600 | 0.76 | PPARA (0.47) | PPARGPPARAKMT2AMAPTCYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1315856-A | Therapeutic methods employing disulfide derivatives of dithiocarbamates and compositions useful therefor | MEDINOX INC (US) | 2001-10-03 | — | — | CN | disclosed |
| CN-1230178-A | Polydithiocarbamate-containing macromolecules and use thereof for therapeutic and diagnostic applications | MEDINOX INC (US) | 1999-09-29 | — | — | CN | disclosed |
| CN-1228697-A | Method for in vivo reduction of iron levels and compositions useful therefor | MEDINOX INC (US) | 1999-09-15 | — | — | CN | disclosed |