Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL28761060 | 0.80 | DAO (0.62) | ALDH1A1KDM4ESMN1; SMN2DAOCYP2C9 | |
| SCHEMBL4018339 | 0.73 | HRH4 (0.46) | MMP2HRH4HRH3ALDH1A1KDM4E | |
| SCHEMBL727185 | 0.73 | CYP1A2 (0.62) | MMP2HRH4HRH3CYP1A2CYP2D6 | |
| SCHEMBL7370545 | 0.71 | CYP2C19 (0.56) | MMP2HRH4HRH3CYP1A2CYP2D6 | |
| SCHEMBL11427746 | 0.70 | ALDH1A1 (0.50) | HRH4HRH3ALDH1A1KDM4EHPGD | |
| SCHEMBL6168636 | 0.69 | TAAR1 (0.68) | MMP2HRH4HRH3CYP1A2CYP2D6 | |
| SCHEMBL31688985 | 0.69 | TAAR1 (0.68) | MMP2HRH4HRH3CYP1A2CYP2D6 | |
| SCHEMBL14123294 | 0.69 | SMN1; SMN2 (0.68) | MMP2HRH4HRH3ALDH1A1SMN1; SMN2 | |
| SCHEMBL7007907 | 0.68 | PNP (0.55) | HRH4HRH3DAO | |
| SCHEMBL23674843 | 0.68 | MMP2 (0.45) | MMP2HRH4HRH3ALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009087218-A1 | THIAZOLTRIAZOLES AND THIAZOLIMIDAZOLES AS ANTAGONISTS OF THE MGLUR5 RECEPTOR | GLAXO GROUP LIMITED (GB) | 2009-07-16 | — | — | WO | disclosed |