Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 8/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 3/20 | 0.41 |
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28690504 | 1.00 | CTSK (0.48) | CTSKNFKB1NFKB2RELACA1 | |
| SCHEMBL17884307 | 0.89 | CTSK (0.54) | CTSKNFKB1NFKB2RELACA1 | |
| SCHEMBL16330414 | 0.89 | CTSK (0.54) | CTSKNFKB1NFKB2RELACA1 | |
| SCHEMBL22412573 | 0.88 | CTSK (0.50) | CTSKCA1CA2CA7CTSS | |
| SCHEMBL22412574 | 0.88 | CTSK (0.50) | CTSKCA1CA2CA7CTSS | |
| SCHEMBL22412575 | 0.88 | CTSK (0.50) | CTSKCA1CA2CA7CTSS | |
| SCHEMBL17880416 | 0.87 | CTSK (0.49) | CTSKNFKB1NFKB2RELACA1 | |
| SCHEMBL17880452 | 0.87 | CTSK (0.49) | CTSKNFKB1NFKB2RELACA1 | |
| SCHEMBL16330411 | 0.85 | CTSK (0.48) | CTSKNFKB1NFKB2RELACA1 | |
| SCHEMBL7545891 | 0.82 | CTSK (0.48) | CTSKNFKB1NFKB2RELACA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116332873-A | Protein tyrosine phosphatase inhibitors and methods of use thereof | 卡里科生命科学有限责任公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-114025844-B | Protein tyrosine phosphatase inhibitors and methods of use thereof | 卡里科生命科学有限责任公司 | 2022-07-26 | — | — | CN | disclosed |
| CN-114025844-A | Protein tyrosine phosphatase inhibitors and methods of use thereof | 卡里科生命科学有限责任公司 | 2022-02-08 | — | — | CN | disclosed |