Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Myralact. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NAAA | Q02083 | 3/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | GHSR | Q92847 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29181581 | 1.00 | SIGMAR1 (0.49) | SIGMAR1SMN1; SMN2TSHRNAAAEPHX2 | |
| SCHEMBL8009507 | 0.95 | SMN1; SMN2 (0.50) | SIGMAR1SMN1; SMN2TSHRALDH1A1HSD17B10 | |
| Diethanolamine SCHEMBL5874579 | 0.87 | SMN1; SMN2 (0.64) | SMN1; SMN2TSHRALDH1A1KDM4ELMNA | |
| Dodecanol SCHEMBL28143360 | 0.85 | SMN1; SMN2 (0.57) | SMN1; SMN2TSHRNAAAEPHX2ALDH1A1 | |
| SCHEMBL29277553 | 0.85 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRNAAAEPHX2ALDH1A1 | |
| Decane SCHEMBL3917036 | 0.85 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRNAAAEPHX2ALDH1A1 | |
| SCHEMBL29109146 | 0.85 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRNAAAEPHX2ALDH1A1 | |
| Octane SCHEMBL8591856 | 0.85 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRNAAAEPHX2ALDH1A1 | |
| Heptane SCHEMBL18585529 | 0.85 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRNAAAEPHX2ALDH1A1 | |
| SCHEMBL29109142 | 0.85 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRNAAAEPHX2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689589-A | defoaming agent composition for hydraulic composition | 花王株式会社 | 2019-04-26 | — | — | CN | disclosed |