Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30036250 | 0.85 | CA1 (0.33) | CYP2D6CA1CA2CA7CA9 | |
| SCHEMBL29077419 | 0.77 | CA1 (0.30) | CA1CA2CA7CA9 | |
| SCHEMBL30670183 | 0.75 | CYP1A1 (0.43) | CYP2D6HDAC4HDAC8MAPTGAA | |
| SCHEMBL29416152 | 0.71 | ALDH1A1 (0.43) | CYP2D6CA12CA1CA2CA7 | |
| SCHEMBL29897446 | 0.71 | CYP2D6 (0.49) | CYP2D6CA12CA1CA2CA7 | |
| SCHEMBL15635353 | 0.71 | CYP2D6 (0.49) | CYP2D6CA12CA1CA2CA7 | |
| SCHEMBL196223 | 0.71 | CA12 (0.68) | CYP2D6CA12CA1CA2CA7 | |
| SCHEMBL28285996 | 0.70 | CYP2D6 (0.47) | CYP2D6CA12CA1CA2CA7 | |
| SCHEMBL10841088 | 0.69 | HDAC4 (0.54) | CYP2D6CA12CA1CA2CA7 | |
| SCHEMBL31541241 | 0.68 | CA12 (0.48) | CYP2D6CA12CA1CA2CA7 |
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-116348455-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-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 |