Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL5838574 | 0.90 | ALDH1A1 (0.41) | ALDH1A1NPC1RAB9ACASP1CASP7 | |
| SCHEMBL6316711 | 0.86 | CYP1A2 (0.44) | ALDH1A1CASP1CASP7HSD17B10GAA | |
| SCHEMBL5837370 | 0.86 | PTPN1 (0.45) | ALDH1A1GAATSHRKDM4E | |
| SCHEMBL7563366 | 0.83 | ALDH1A1 (0.42) | ALDH1A1NPC1RAB9AHSD17B10GAA | |
| SCHEMBL5837696 | 0.83 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9ACASP1CASP7 | |
| SCHEMBL5837768 | 0.82 | ALDH1A1 (0.45) | ALDH1A1CASP1CASP7HSD17B10GAA | |
| SCHEMBL7479584 | 0.78 | ALDH1A1 (0.36) | ALDH1A1HSD17B10GAAKDM4E | |
| SCHEMBL5838365 | 0.78 | CYP1A2 (0.40) | ALDH1A1NPC1RAB9ACASP1CASP7 | |
| SCHEMBL5837777 | 0.76 | ACHE (0.39) | ALDH1A1CASP1CASP7HSD17B10TSHR | |
| SCHEMBL6316462 | 0.76 | ADORA1 (0.35) | ALDH1A1NPC1RAB9ACASP1CASP7 |
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 2 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 | 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 |