Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 3/20 | 0.35 |
| ▸ | PPARA | Q07869 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | NTSR1 | P30989 | 2/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.33 |
| ▸ | ITGAV | P06756 | 1/20 | 0.33 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.33 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.33 |
| ▸ | PLK4 | O00444 | 1/20 | 0.33 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7399152 | 0.77 | SIRT1 (0.45) | MTNR1AMTNR1BSIRT1SIRT2RAD52 | |
| Hydrochloric Acid SCHEMBL7400195 | 0.76 | PPARG (0.39) | MTNR1AMTNR1BPPARGCYP2C9CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL7318294 | 0.75 | NTSR1 (0.45) | PPARGPPARACYP2C9CYP2C19PPARD | |
| Hydrochloric Acid SCHEMBL7399520 | 0.74 | F2 (0.39) | MTNR1AMTNR1BCYP2C9CYP2C19MCL1 | |
| Hydrochloric Acid SCHEMBL7403275 | 0.73 | BACE1 (0.46) | CYP2C19MEN1CYP1A2CYP3A4KMT2A | |
| Trifluoroacetic Acid SCHEMBL7401358 | 0.73 | MCL1 (0.40) | MTNR1AMTNR1BPPARGPPARACYP2C9 | |
| Trifluoroacetic Acid SCHEMBL7305404 | 0.71 | MPO (0.47) | — | |
| SCHEMBL7403823 | 0.70 | MTNR1A (0.39) | MTNR1AMTNR1BPPARGPPARAMCL1 | |
| SCHEMBL7401683 | 0.69 | HDAC6 (0.40) | MTNR1AMTNR1BDHODH | |
| Hydrochloric Acid SCHEMBL7403768 | 0.69 | CA12 (0.42) | MTNR1AMTNR1BMCL1ACMSD |
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-2001034146-A1 | NOVEL ANTI-INFECTIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-17 | — | — | WO | disclosed |