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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11821838 | 0.99 | CA2 (0.44) | CA2CA4FKBP1AKMT2AL3MBTL1 | |
| SCHEMBL11825084 | 0.97 | CA2 (0.43) | CA2CA4FKBP1AKMT2AL3MBTL1 | |
| SCHEMBL11820118 | 0.97 | CA2 (0.43) | CA2CA4FKBP1AKMT2AL3MBTL1 | |
| SCHEMBL11816739 | 0.97 | CA2 (0.43) | CA2CA4FKBP1AKMT2AL3MBTL1 | |
| Potassium Ion SCHEMBL11819033 | 0.97 | CA2 (0.43) | CA2CA4FKBP1AKMT2AL3MBTL1 | |
| SCHEMBL10746094 | 0.88 | FKBP1A (0.53) | CA2CA4FKBP1AKMT2AL3MBTL1 | |
| SCHEMBL11821280 | 0.86 | FKBP1A (0.52) | CA2CA4FKBP1AKMT2AL3MBTL1 | |
| SCHEMBL11819040 | 0.86 | FKBP1A (0.52) | CA2CA4FKBP1AKMT2AL3MBTL1 | |
| SCHEMBL11821844 | 0.86 | FKBP1A (0.52) | CA2CA4FKBP1AKMT2AL3MBTL1 | |
| SCHEMBL11825095 | 0.86 | FKBP1A (0.52) | CA2CA4FKBP1AKMT2AL3MBTL1 |
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-3954994-A | Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents | PFIZER INC. (US) | 1976-05-04 | — | — | US | disclosed |