Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD2 | Q9NRG4 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | SLC16A3 | O15427 | 2/20 | 0.33 |
| ▸ | SLC16A1 | P53985 | 2/20 | 0.33 |
| ▸ | KLK7 | P49862 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28388395 | 0.92 | CYP4F2 (0.41) | SMYD2CYP3A4HTTSMN1; SMN2CYP4F2 | |
| SCHEMBL22070851 | 0.88 | HSD11B1 (0.36) | SMYD2CYP3A4HTTSMN1; SMN2CYP4F2 | |
| SCHEMBL17040981 | 0.86 | ALDH1A1 (0.41) | HTTSMN1; SMN2ALDH1A1HPGDKDM4E | |
| SCHEMBL4479191 | 0.83 | SLC16A3 (0.39) | SMYD2CYP3A4HTTSMN1; SMN2SLC16A3 | |
| SCHEMBL4479186 | 0.83 | SLC16A3 (0.39) | SMYD2CYP3A4HTTSMN1; SMN2SLC16A3 | |
| SCHEMBL10380887 | 0.83 | SMYD2 (0.39) | SMYD2CYP3A4HTTSMN1; SMN2SLC16A3 | |
| SCHEMBL12153790 | 0.83 | SMYD2 (0.35) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL3969003 | 0.83 | SMYD2 (0.35) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL22070999 | 0.83 | SMYD2 (0.35) | SMYD2CYP3A4HTTSMN1; SMN2KLK7 | |
| SCHEMBL31645262 | 0.83 | SMYD2 (0.35) | SMYD2CYP3A4HTTSMN1; SMN2 |
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-2015125785-A1 | PYRAZOLONE DERIVATIVE HAVING MULTIPLE SUBSTITUENTS | 第一三共株式会社 | 2015-08-27 | — | — | WO | disclosed |