Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | DRD5 | P21918 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HTR2B | P41595 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 2/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL27589367 | 0.89 | CYP1A2 (0.52) | NOTUMCYP1A2DRD2DRD1DRD4 | |
| Urea SCHEMBL6098803 | 0.89 | CYP1A2 (0.52) | NOTUMCYP1A2DRD2DRD1DRD4 | |
| Fluorene SCHEMBL27662337 | 0.88 | HTR2B (0.56) | NOTUMCYP1A2DRD2MTNR1AMTNR1B | |
| Urea SCHEMBL17710420 | 0.86 | CYP1A2 (0.50) | CYP1A2DRD2DRD1DRD4DRD5 | |
| SCHEMBL11106630 | 0.84 | CYP1A2 (0.48) | NOTUMCYP1A2DRD2DRD1DRD4 | |
| SCHEMBL28310412 | 0.81 | HTR2A (0.47) | NOTUMCYP1A2DRD2DRD1DRD4 | |
| Bicarbonate SCHEMBL8601125 | 0.80 | CYP1A2 (0.55) | NOTUMCYP1A2DRD2DRD1DRD4 | |
| Acetohydroxamic Acid SCHEMBL28905392 | 0.80 | HDAC7 (0.52) | NOTUMCYP1A2DRD2DRD1DRD4 | |
| Hydroxyurea SCHEMBL8687113 | 0.80 | HDAC7 (0.52) | CYP1A2DRD2MTNR1AMTNR1BMAOA | |
| Acetamide SCHEMBL5312159 | 0.80 | TSHR (0.55) | NOTUMMTNR1AMTNR1BMAOAALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106518828-A | Amides myricetin derivative and preparation method and application thereof | 贵州大学 | 2017-03-22 | — | — | CN | disclosed |
| CN-106000465-A | Method for oxidative coupling reaction of aldehyde and secondary amide | 苏州大学 | 2016-10-12 | — | — | CN | disclosed |
| CN-105001031-B | Ionic Iron (III) complex containing monophenol functionalized imidazoline cation and preparation method and application thereof | 苏州大学 | 2016-08-17 | — | — | CN | disclosed |
| CN-105001031-A | Ionic Iron (III) complex containing monophenol functionalized imidazoline cation and preparation method and application thereof | UNIV SOOCHOW | 2015-10-28 | — | — | CN | disclosed |