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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | CDK1 | P06493 | 3/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.45 |
| ▸ | CCND1 | P24385 | 3/20 | 0.45 |
| ▸ | CDK2 | P24941 | 3/20 | 0.45 |
| ▸ | CDK7 | P50613 | 3/20 | 0.45 |
| ▸ | CCNH | P51946 | 3/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.45 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | S100A9 | P06702 | 4/20 | 0.41 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
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 SCHEMBL11757835 | 0.96 | PKM (0.50) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL5137125 | 0.96 | PKM (0.50) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL388032 | 0.77 | PKM (0.53) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL6038652 | 0.76 | PKM (0.52) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL12560498 | 0.76 | PKM (0.52) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL1645094 | 0.76 | PKM (0.52) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL5137127 | 0.74 | PKM (0.50) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL8630771 | 0.74 | PKM (0.50) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL8230217 | 0.71 | CDK1 (0.54) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL11561509 | 0.68 | PKM (0.45) | PKMCDK1CCNB1CCNA2CCND1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4039509-A | METAL SALTS OF HETEROCYCLIC SULFONIC ACIDS | GENERAL ELECTRIC COMPANY (US) | 1977-08-02 | — | — | US | claimed |