Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28595989 | 0.88 | PTGS2 (0.46) | MAPTL3MBTL1PTGS2PTGS1HIF1A | |
| SCHEMBL28581887 | 0.87 | PTGS2 (0.36) | BRAFATMPTGS2PTGS1SRC | |
| SCHEMBL28586026 | 0.85 | PTGS2 (0.36) | MAPTRAB9APTGS2PTGS1KDM4E | |
| SCHEMBL4459050 | 0.85 | PTGS1 (0.41) | BRAFMAPTRAB9APTGS2PTGS1 | |
| SCHEMBL8352171 | 0.66 | MAPT (0.44) | BRAFMAPTRAB9ACTDSP1L3MBTL1 | |
| SCHEMBL2064542 | 0.65 | — | — | |
| SCHEMBL15332005 | 0.64 | BRAF (0.43) | BRAFATMMAPTRAB9ACTDSP1 | |
| SCHEMBL19120598 | 0.63 | NPBWR1 (0.49) | BRAFATMMAPTRAB9ACTDSP1 | |
| SCHEMBL19120335 | 0.63 | HIF1A (0.44) | BRAFATMMAPTRAB9ACTDSP1 | |
| SCHEMBL16927650 | 0.63 | XDH (0.44) | BRAFATMMAPTRAB9ACTDSP1 |
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-108864075-B | Isothiazole bithiazole derivative and preparation method and application thereof | 南开大学 | 2021-06-01 | — | — | CN | claimed |