Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | AKT2 | P31751 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | ADK | P55263 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | SCN4A | P35499 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | AGXT | P21549 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL1551538 | 0.94 | NOTUM (0.44) | NOTUMAKT2ALDH1A1AKT1NISCH | |
| Biphenyl SCHEMBL7524563 | 0.91 | NOTUM (0.42) | NOTUMAKT2ALDH1A1AKT1NISCH | |
| Methylamine SCHEMBL27788390 | 0.82 | — | — | |
| Toluene SCHEMBL2978420 | 0.81 | LMNA (0.48) | NISCHTAAR1TDP1 | |
| Aniline SCHEMBL19386114 | 0.81 | TSHR (0.48) | ALDH1A1CYP3A4TAAR1HSD17B10TDP1 | |
| SCHEMBL28134439 | 0.81 | MEN1 (0.39) | NOTUMALDH1A1MAPTKMT2A | |
| Methylamine SCHEMBL17477504 | 0.79 | — | — | |
| Benzene SCHEMBL487381 | 0.79 | — | — | |
| Benzene SCHEMBL28126191 | 0.79 | — | — | |
| Benzene SCHEMBL28097781 | 0.79 | — | — |
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-109678846-B | Pyrazole amide compound containing 1,2, 3-triazole structure, and preparation method and application thereof | 南通大学 | 2021-03-09 | — | — | CN | disclosed |