Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.55 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28905360 | 1.00 | MEN1 (0.55) | MEN1KMT2ACYP2D6CYP1A2HIF1A | |
| SCHEMBL13933868 | 0.84 | CYP2D6 (0.53) | MEN1KMT2ACYP2D6CYP1A2HIF1A | |
| SCHEMBL38651836 | 0.83 | AKR1C3 (0.58) | CYP1A2TSHRKDM4ESMN1; SMN2SLC6A2 | |
| SCHEMBL60543 | 0.83 | AKR1C3 (0.58) | CYP1A2TSHRKDM4ESMN1; SMN2SLC6A2 | |
| SCHEMBL29700742 | 0.82 | AOC3 (0.59) | MEN1KMT2ACYP2D6CYP1A2HIF1A | |
| SCHEMBL22076569 | 0.82 | CYP2D6 (0.55) | MEN1KMT2ACYP2D6CYP1A2HIF1A | |
| SCHEMBL27891935 | 0.81 | UGT2B7 (0.49) | MEN1KMT2ACYP2D6CYP1A2HIF1A | |
| SCHEMBL12861377 | 0.79 | AOC3 (0.48) | MEN1KMT2AAOC3UGT2B7KDM4E | |
| SCHEMBL483715 | 0.78 | UGT2B7 (0.62) | MEN1KMT2ACYP2D6CYP1A2HIF1A | |
| SCHEMBL10120474 | 0.78 | UGT2B7 (0.62) | MEN1KMT2ACYP2D6CYP1A2HIF1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109776371-B | Chiral tridentate ligand of nitrogen-containing heterocyclic propane and preparation method thereof | 北京化工大学 | 2020-12-25 | — | — | CN | disclosed |
| CN-100491317-C | Method for prepring compound of beta hydroxyketone in supercritical liquid of carbon dioxide | SHAANXI TEACHER S UNIVERSITY (CN) | 2009-05-27 | — | — | CN | disclosed |
| CN-101092338-A | Method for prepring compound of beta hydroxyketone in supercritical liquid of carbon dioxide | SHAANXI TEACHER S UNIV (CN) | 2007-12-26 | — | — | CN | disclosed |