Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOST | Q9BQB4 | 1/20 | 0.67 |
| ▸ | FPGS | Q05932 | 2/20 | 0.66 |
| ▸ | GART | P22102 | 4/20 | 0.51 |
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | MTHFD1 | P11586 | 1/20 | 0.45 |
| ▸ | ATIC | P31939 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL3446205 | 0.93 | SOST (0.75) | SOSTFPGSGARTDHFRMTHFD1 | |
| Phenylmethanesulfonic Acid SCHEMBL4612019 | 0.92 | SOST (0.66) | SOSTFPGSGARTDHFRMTHFD1 | |
| SCHEMBL4633178 | 0.91 | SOST (0.62) | SOSTFPGSGARTDHFRMTHFD1 | |
| Tetrahydrofolate SCHEMBL9170434 | 0.89 | SOST (0.86) | SOSTFPGSGARTDHFRMTHFD1 | |
| Tetrahydrofolate SCHEMBL9174357 | 0.89 | SOST (0.86) | SOSTFPGSGARTDHFRMTHFD1 | |
| Tetrahydrofolate SCHEMBL4612351 | 0.89 | SOST (0.86) | SOSTFPGSGARTDHFRMTHFD1 | |
| SCHEMBL7077904 | 0.88 | SOST (0.85) | SOSTFPGSGARTDHFRMTHFD1 | |
| SCHEMBL20509041 | 0.88 | SOST (0.85) | SOSTFPGSGARTDHFRMTHFD1 | |
| SCHEMBL27903149 | 0.88 | SOST (0.85) | SOSTFPGSGARTDHFRMTHFD1 | |
| SCHEMBL10464162 | 0.88 | SOST (0.85) | SOSTFPGSGARTDHFRMTHFD1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1200436-B1 | METHOD FOR MAKING PURE STEREOISOMERS OF TETRAHYDROFOLIC ACID ESTER SALTS AND TETRAHYDROFOLIC ACID BY FRACTIONATED CRYSTALLISATION OF TETRAHYDROFOLIC ACID SALTS | MERCK EPROVA AG (CH) | 2008-10-29 | — | — | EP | disclosed |
| EP-1200437-B1 | METHOD FOR PRODUCING BY STEREOSPECIFIC HYDRATION TETRAHYDROPTERINS AND OPTICALLY PURE DERIVATIVES, IN PARTICULAR TETRAHYDROFOLIC ACID AND ITS OPTICALLY PURE DERIVATIVES | EPROVA AG (CH) | 2004-03-10 | — | — | EP | disclosed |
| EP-1200437-A1 | METHOD FOR PRODUCING BY STEREOSPECIFIC HYDRATION TETRAHYDROPTERINS AND OPTICALLY PURE DERIVATIVES, IN PARTICULAR TETRAHYDROFOLIC ACID AND ITS OPTICALLY PURE DERIVATIVES | EPROVA AG Forschungsinstitut (CH) | 2002-05-02 | — | — | EP | disclosed |
| EP-1200436-A1 | METHOD FOR MAKING PURE STEREOISOMERS OF TETRAHYDROFOLIC ACID ESTER SALTS AND TETRAHYDROFOLIC ACID BY FRACTIONATED CRYSTALLISATION OF TETRAHYDROFOLIC ACID SALTS | EPROVA AG Forschungsinstitut (CH) | 2002-05-02 | — | — | EP | disclosed |
| WO-2001004120-A1 | METHOD FOR PRODUCING BY STEREOSPECIFIC HYDRATION TETRAHYDROPTERINS AND OPTICALLY PURE DERIVATIVES, IN PARTICULAR TETRAHYDROFOLIC ACID AND ITS OPTICALLY PURE DERIVATIVES | EPROVA AG (CH) | 2001-01-18 | — | — | WO | disclosed |
| WO-2001004121-A1 | METHOD FOR MAKING PURE STEREOISOMERS OF TETRAHYDROFOLIC ACID ESTER SALTS AND TETRAHYDROFOLIC ACID BY FRACTIONATED CRYSTALLISATION OF TETRAHYDROFOLIC ACID ESTER SALTS | EPROVA AG (CH) | 2001-01-18 | — | — | WO | disclosed |