Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 2/20 | 0.40 |
| ▸ | MGLL | Q99685 | 2/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PHGDH | O43175 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8252369 | 0.93 | — | — | |
| SCHEMBL22121714 | 0.74 | — | — | |
| SCHEMBL8274668 | 0.74 | — | — | |
| SCHEMBL14983797 | 0.73 | SMN1; SMN2 (0.50) | SMN1; SMN2FAAHMGLLGAAHTT | |
| SCHEMBL7863270 | 0.73 | — | — | |
| SCHEMBL24117660 | 0.71 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP2C9CYP2C19AKR1C3HTT | |
| SCHEMBL5928898 | 0.71 | CA12 (0.48) | SMN1; SMN2FAAHMGLLHTTCA12 | |
| SCHEMBL1266163 | 0.71 | — | — | |
| SCHEMBL5949372 | 0.70 | PHGDH (0.54) | SMN1; SMN2CYP2C9CYP2C19FAAHMGLL | |
| SCHEMBL13577003 | 0.70 | MEN1 (0.55) | CYP2C9CYP2C19MGLLAKR1C3MAPT |
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-109503468-B | Activation method of perfluoroalkyl carbon halogen bond and method for synthesizing pyridine derivative | 南京大学 | 2020-12-25 | — | — | CN | claimed |
| CN-109503468-A | The method of the activation method and pyridine synthesis derivative of perfluoroalkyl carbon-halogen bond | 南京大学 | 2019-03-22 | — | — | CN | claimed |
| CN-109503468-B | Activation method of perfluoroalkyl carbon halogen bond and method for synthesizing pyridine derivative | 南京大学 | 2020-12-25 | — | — | CN | disclosed |
| CN-109503468-A | The method of the activation method and pyridine synthesis derivative of perfluoroalkyl carbon-halogen bond | 南京大学 | 2019-03-22 | — | — | CN | disclosed |