Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.42 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.42 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | ACLY | P53396 | 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 | |
|---|---|---|---|---|
| SCHEMBL4249310 | 0.84 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL29698642 | 0.83 | POLB (0.50) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL28286416 | 0.83 | NR4A1 (0.49) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL28674705 | 0.81 | TSHR (0.49) | ALDH1A1KDM4EKMT2APOLBACLY | |
| SCHEMBL11105220 | 0.81 | ALDH1A1 (0.49) | ALDH1A1KDM4ELTB4R2POLBACLY | |
| SCHEMBL11347335 | 0.78 | RXFP1 (0.47) | ALDH1A1GAAKMT2ARAB9ARXRA | |
| SCHEMBL18158039 | 0.78 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL11366517 | 0.77 | GRM4 (0.53) | ALDH1A1KDM4EKMT2ARAB9ARXRA | |
| SCHEMBL8254317 | 0.77 | GAA (0.49) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL28322173 | 0.76 | HTR3E (0.52) | KDM4EHTR3EHTR3BHTR3AHTR3D |
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-109516963-A | A method of preparing 1,2- dihydro-(4H) -3,1- benzoxazin-4-one compound | 上海交通大学 | 2019-03-26 | — | — | CN | claimed |
| CN-109516946-A | A method of preparing carbazole compound | 上海交通大学 | 2019-03-26 | — | — | CN | claimed |
| CN-109516963-A | A method of preparing 1,2- dihydro-(4H) -3,1- benzoxazin-4-one compound | 上海交通大学 | 2019-03-26 | — | — | CN | disclosed |
| CN-109516946-A | A method of preparing carbazole compound | 上海交通大学 | 2019-03-26 | — | — | CN | disclosed |