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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP7 known ✓ | P09237 | 1/20 | 0.50 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.48 |
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.60 |
| ▸ | CA2 | P00918 | 3/20 | 0.60 |
| ▸ | CA9 | Q16790 | 3/20 | 0.60 |
| ▸ | CA1 | P00915 | 2/20 | 0.60 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP14 | P50281 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | PARL | Q9H300 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | MMP12 | P39900 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL2501557 | 0.95 | CA12 (0.60) | CA12CA2CA9CA1MMP2 | |
| SCHEMBL8662029 | 0.95 | CA12 (0.60) | CA12CA2CA9CA1MMP2 | |
| SCHEMBL11746260 | 0.95 | CA12 (0.60) | CA12CA2CA9CA1MMP2 | |
| SCHEMBL587792 | 0.87 | HTR6 (0.55) | CA12CA2CA9CA1MMP2 | |
| Benzene SCHEMBL28157245 | 0.87 | HTR6 (0.55) | CA12CA2CA9CA1MMP2 | |
| Water SCHEMBL28907959 | 0.84 | HTR6 (0.52) | CA12CA2CA9CA1MMP2 | |
| Potassium Ion SCHEMBL9302660 | 0.84 | CA12 (0.52) | CA12CA2CA9CA1MMP2 | |
| SCHEMBL3171668 | 0.84 | CA12 (0.52) | CA12CA2CA9CA1PKM | |
| Potassium Ion SCHEMBL5847292 | 0.84 | CA12 (0.52) | CA12CA2CA9CA1MMP2 | |
| SCHEMBL5846996 | 0.84 | CA12 (0.52) | CA12CA2CA9CA1PKM |
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 |
|---|---|---|---|---|---|---|---|
| US-4251434-A | ORGANIC SALTS OF ALKALINE AND ALKALINE EARTH METALS | GENERAL ELECTRIC COMPANY (US) | 1981-02-17 | — | — | US | disclosed |
| US-4110299-A | INORGANIC HALIDE, SULFONATE | GENERAL ELECTRIC COMPANY (US) | 1978-08-29 | — | — | US | disclosed |
| US-4104253-A | HALOGENATED ORGANIC ALKALI OR ALKALINE EARTH METAL SALTS | GENERAL ELECTRIC COMPANY (US) | 1978-08-01 | — | — | US | disclosed |