Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 5/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.39 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.39 |
| ▸ | PTPRF | P10586 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2888862 | 1.00 | ALDH1A1 (0.43) | ALDH1A1MAPK1CA12CA1CA7 | |
| SCHEMBL28710605 | 0.93 | KEAP1 (0.46) | CA12CA1CA7CA14KDM1A | |
| SCHEMBL2893397 | 0.91 | ALDH1A1 (0.44) | ALDH1A1MAPK1CA12CA1CA7 | |
| SCHEMBL2889117 | 0.88 | ALDH1A1 (0.45) | ALDH1A1MAPK1CA12CA1CA7 | |
| SCHEMBL23540005 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAPK1CA12CA1CA7 | |
| SCHEMBL30026722 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAPK1CA12CA1CA7 | |
| SCHEMBL31277365 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAPK1CA12CA1CA7 | |
| SCHEMBL30027118 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAPK1CA12CA1CA7 | |
| SCHEMBL23540523 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAPK1CA12CA1CA7 | |
| SCHEMBL2892950 | 0.83 | ALDH1A1 (0.48) | ALDH1A1MAPK1KDM1AKEAP1NFE2L2 |
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-116829555-A | Protein tyrosine phosphatase inhibitors and methods of use thereof | 卡里科生命科学有限责任公司 | 2023-09-29 | — | — | CN | disclosed |
| EP-4211122-A1 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | Calico Life Sciences LLC (US) | 2023-07-19 | — | — | EP | 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 |
| WO-2022056281-A1 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | CALICO LIFE SCIENCES LLC (US) | 2022-03-17 | — | — | WO | disclosed |