Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | FABP4 | P15090 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5838080 | 0.85 | PTPN1 (0.47) | CASP3 | |
| SCHEMBL7577512 | 0.84 | MEN1 (0.35) | ALDH1A1KEAP1NFE2L2FABP4 | |
| SCHEMBL7571116 | 0.83 | ALDH1A1 (0.36) | ALDH1A1CASP3 | |
| SCHEMBL7539805 | 0.83 | NPC1 (0.42) | ALDH1A1 | |
| SCHEMBL7535029 | 0.81 | GAA (0.42) | ALDH1A1 | |
| SCHEMBL7539969 | 0.81 | DRD4 (0.44) | ALDH1A1FABP4 | |
| SCHEMBL7736684 | 0.80 | HDAC1 (0.38) | ALDH1A1 | |
| SCHEMBL5846085 | 0.80 | BCHE (0.41) | ALDH1A1 | |
| SCHEMBL5846091 | 0.80 | BCHE (0.41) | ALDH1A1 | |
| SCHEMBL7558300 | 0.80 | KMT2A (0.42) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1214060-A2 | METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 | NOVO NORDISK A/S (DK) | 2002-06-19 | — | — | EP | claimed |
| WO-2001017516-A2 | METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 | NOVO NORDISK A/S (DK) | 2001-03-15 | — | — | WO | claimed |
| EP-1214060-A2 | METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 | NOVO NORDISK A/S (DK) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001017516-A2 | METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 | NOVO NORDISK A/S (DK) | 2001-03-15 | — | — | WO | disclosed |