Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 5/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.42 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.42 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL519951 | 0.98 | CA9 (0.59) | CA9MAPTALDH1A1POLBHTT | |
| SCHEMBL31231828 | 0.98 | CA9 (0.59) | CA9MAPTALDH1A1POLBHTT | |
| SCHEMBL736368 | 0.87 | CA9 (0.73) | CA9MAPTALDH1A1POLBHTT | |
| Methane SCHEMBL28569951 | 0.86 | CA9 (0.77) | CA9MAPTALDH1A1POLBHTT | |
| Hydrochloric Acid SCHEMBL17544899 | 0.86 | CA9 (0.71) | CA9MAPTALDH1A1POLBHTT | |
| SCHEMBL995002 | 0.84 | CA9 (0.80) | CA9MAPTKIF11PKMNPC1 | |
| SCHEMBL22660 | 0.78 | AHR (0.61) | CA9GAACYP1A2CYP11B1CYP11B2 | |
| SCHEMBL8006751 | 0.77 | MAPT (0.58) | MAPTKIF11GSK3BPKMIDO1 | |
| SCHEMBL2407068 | 0.77 | MAPT (0.58) | MAPTKIF11GSK3BPKMIDO1 | |
| SCHEMBL7492910 | 0.77 | AHR (0.66) | MAPTKIF11GSK3BPKMIDO1 |
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-106349233-B | 3, 4-diphenyl-4H-1, 2, 4-triazole derivative and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-06-01 | — | — | CN | disclosed |