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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 3/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | MEN1 | O00255 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | POLB | P06746 | 1/20 | 0.66 |
| ▸ | GAA | P10253 | 1/20 | 0.66 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.66 |
| ▸ | HPGD | P15428 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.66 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | DHFR | P00374 | 6/20 | 0.45 |
| ▸ | GART | P22102 | 1/20 | 0.45 |
| ▸ | ATIC | P31939 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3577874 | 0.92 | TYMS (0.74) | TYMSKDM4EMEN1ALDH1A1POLB | |
| SCHEMBL30812371 | 0.89 | TYMS (0.83) | TYMSKDM4EMEN1ALDH1A1POLB | |
| SCHEMBL1230170 | 0.88 | TYMS (0.85) | TYMSKDM4EMEN1ALDH1A1POLB | |
| SCHEMBL3798975 | 0.88 | TYMS (0.85) | TYMSKDM4EMEN1ALDH1A1POLB | |
| SCHEMBL29385035 | 0.88 | TYMS (0.85) | TYMSKDM4EMEN1ALDH1A1POLB | |
| SCHEMBL3573260 | 0.87 | AKR1B1 (0.50) | TYMSKDM4EMEN1ALDH1A1POLB | |
| SCHEMBL28961172 | 0.87 | TYMS (0.83) | TYMSKDM4EMEN1ALDH1A1POLB | |
| Calcium SCHEMBL29393226 | 0.87 | TYMS (0.83) | TYMSKDM4EMEN1ALDH1A1POLB | |
| Magnesium SCHEMBL30812372 | 0.87 | TYMS (0.83) | TYMSKDM4EMEN1ALDH1A1POLB | |
| SCHEMBL13659931 | 0.86 | TYMS (0.74) | TYMSKDM4EMEN1ALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| 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-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 |