Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 2/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.45 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.45 |
| ▸ | PTPRB | P23467 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 3/20 | 0.41 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL19953751 | 0.88 | PTPRB (0.55) | LDHAITGB1ITGA4PTPRBPPARG | |
| SCHEMBL15647871 | 0.84 | LDHA (0.55) | LDHAITGB1ITGA4EPHX2NR1H4 | |
| SCHEMBL9411838 | 0.80 | LDHA (0.75) | LDHAPPARGPPARDPPARA | |
| SCHEMBL3787450 | 0.76 | ENPP2 (0.45) | LDHAITGB1ITGA4PTPRBEPHX2 | |
| SCHEMBL3351540 | 0.76 | ACE (0.43) | LDHAITGB1ITGA4AKR1C3ACE | |
| SCHEMBL3779962 | 0.75 | PTPRB (0.51) | LDHAITGB1ITGA4PTPRBPPARG | |
| SCHEMBL27790965 | 0.74 | TBXAS1 (0.48) | ITGB1ITGA4AKR1C3PTGDR2ACE | |
| SCHEMBL3772833 | 0.73 | MMP8 (0.47) | PTPRBCA2 | |
| SCHEMBL3783037 | 0.73 | ENPP2 (0.42) | LDHAITGB1ITGA4EPHX2NR1H4 | |
| SCHEMBL19899914 | 0.73 | SLC7A5 (0.61) | PTGS2 |
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-3510040-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | Calithera Biosciences, Inc. (US) | 2019-07-17 | — | — | EP | disclosed |
| WO-2018049145-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | CALITHERA BIOSCIENCES, INC. (US) | 2018-03-15 | — | — | WO | disclosed |