Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | RAB7A | P51149 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6399264 | 0.89 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL7159562 | 0.89 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL7568404 | 0.86 | ALDH1A1 (0.43) | ALDH1A1KMT2AMEN1GAAHSD17B10 | |
| SCHEMBL6225735 | 0.85 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL7846887 | 0.85 | ALDH1A1 (0.39) | ALDH1A1KMT2AMEN1GAAHSD17B10 | |
| SCHEMBL5837429 | 0.85 | PTPN1 (0.45) | RAB7A | |
| SCHEMBL7567316 | 0.84 | RAB7A (0.33) | ALDH1A1RAB7A | |
| SCHEMBL7864191 | 0.84 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL7692364 | 0.83 | KMT2A (0.34) | ALDH1A1KMT2AMEN1GAARAB7A | |
| SCHEMBL7565443 | 0.82 | PTPN2 (0.38) | ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7115624-B1 | Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 | NOVO NORDISK A/S (DK) | 2006-10-03 | — | — | US | disclosed |
| 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 |