Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL5838700 | 0.78 | TDP1 (0.39) | ALDH1A1NPC1ACHEKMT2A | |
| SCHEMBL5838074 | 0.73 | GRM6 (0.39) | ALDH1A1GAAKMT2AKDM4ETSHR | |
| SCHEMBL5837083 | 0.72 | PTPN1 (0.49) | ALDH1A1RAB9ANPC1GAAKMT2A | |
| SCHEMBL5838574 | 0.69 | ALDH1A1 (0.41) | ALDH1A1RAB9ANPC1GABRA1GABRG2 | |
| SCHEMBL5843448 | 0.69 | ALDH1A1 (0.40) | ALDH1A1RAB9ANPC1GAAKDM4E | |
| SCHEMBL7571114 | 0.68 | CXCR2 (0.46) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL5838338 | 0.65 | ALDH1A1 (0.32) | ALDH1A1RAB9ANPC1KMT2AKDM4E | |
| SCHEMBL5837696 | 0.64 | ALDH1A1 (0.39) | ALDH1A1RAB9ANPC1GABRA1GABRG2 | |
| SCHEMBL7480921 | 0.61 | ALDH1A1 (0.43) | ALDH1A1RAB9ANPC1GAAKDM4E | |
| SCHEMBL5838395 | 0.61 | GRM6 (0.36) | ALDH1A1RAB9ANPC1GAAKMT2A |
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 |