Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 4/20 | 0.44 |
| ▸ | IDO1 | P14902 | 7/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | AGXT | P21549 | 2/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22973726 | 0.79 | TRPA1 (0.36) | TAAR1 | |
| SCHEMBL4408254 | 0.79 | TAAR1 (0.50) | TAAR1MAOBIDO1MAOA | |
| SCHEMBL437758 | 0.79 | ESR1 (0.52) | TAAR1IDO1HTR3A | |
| SCHEMBL17181662 | 0.78 | IDO1 (0.52) | TAAR1MAOBIDO1AGXTMAOA | |
| SCHEMBL1101315 | 0.78 | CA1 (0.48) | TAAR1MAOBIDO1MAOA | |
| SCHEMBL11136622 | 0.78 | TAAR1 (0.41) | TAAR1MAOBIDO1HTR3EHTR3B | |
| SCHEMBL11228865 | 0.75 | TAAR1 (0.54) | TAAR1MAOBIDO1GPR84AGXT | |
| SCHEMBL6329293 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL8995952 | 0.73 | KMT2A (0.39) | — | |
| SCHEMBL2173061 | 0.73 | TSHR (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106892942-B | A kind of preparation method of beta-amido ethylphosphonic acid derivative | 苏州大学 | 2019-01-04 | — | — | CN | disclosed |