Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | PTPRB | P23467 | 4/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | PTPRA | P18433 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 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 | |
|---|---|---|---|---|
| SCHEMBL20333774 | 0.86 | PTPN1 (0.41) | PTPN1EPHX2NR1H4ENPP2PTPRB | |
| SCHEMBL20350669 | 0.84 | EPHX2 (0.42) | PTPN1EPHX2NR1H4ENPP2AKR1C3 | |
| SCHEMBL934104 | 0.79 | SMN1; SMN2 (0.52) | PTPN1PTPRBPTPN2PTPRA | |
| SCHEMBL20333381 | 0.78 | RXRA (0.39) | PTPN1PTPRBPTPN2PTPRA | |
| SCHEMBL20350718 | 0.78 | ALDH1A1 (0.50) | PTPRBMEN1KMT2A | |
| SCHEMBL27769567 | 0.77 | EPHX2 (0.46) | PTPN1EPHX2NR1H4ENPP2AKR1C3 | |
| SCHEMBL20333769 | 0.75 | FFAR1 (0.50) | — | |
| SCHEMBL29975802 | 0.75 | BLM (0.44) | PTPN1EPHX2NR1H4ENPP2AKR1C3 | |
| SCHEMBL20333384 | 0.73 | SMN1; SMN2 (0.50) | PTPN1NR1H4MEN1KMT2A | |
| SCHEMBL15577125 | 0.72 | BLM (0.40) | PTPN1EPHX2PTPRBPTPN2PTPRA |
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 |