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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 3/20 | 0.33 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.33 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10787610 | 0.95 | CA2 (0.39) | CA2CA1CA4SLC22A16BBOX1 | |
| Zinc Ion SCHEMBL9489096 | 0.95 | CA2 (0.39) | CA2CA1CA4SLC22A16BBOX1 | |
| SCHEMBL1643318 | 0.95 | CA2 (0.44) | CA2CA1CA4SLC22A16BBOX1 | |
| SCHEMBL9598127 | 0.79 | KDM4E (0.52) | CA2CA1CA4KDM4EMAPT | |
| SCHEMBL6903724 | 0.78 | CA2 (0.34) | CA2CA1 | |
| SCHEMBL11656239 | 0.75 | CA2 (0.44) | CA2CA1CA4SLC22A16BBOX1 | |
| SCHEMBL124790 | 0.74 | TDP1 (0.39) | KDM4EALOX15FFAR3 | |
| SCHEMBL3064458 | 0.73 | CA2 (0.37) | CA2CA1CA4BBOX1KDM4E | |
| SCHEMBL5688204 | 0.73 | CA2 (0.37) | CA2CA1CA4BBOX1KDM4E | |
| SCHEMBL1279950 | 0.73 | CA2 (0.37) | CA2CA1CA4BBOX1KDM4E |
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-7531490-B2 | Detergent composition comprising calcium gluconate and a mixture of calcium ion sequestering agents | KAO CORPORATION (JP) | 2009-05-12 | — | — | US | disclosed |
| US-20060079437-A1 | Detergent composition | KAO CORPORATION (JP) | 2006-04-13 | — | — | US | disclosed |