Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.32 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.32 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.32 |
| ▸ | TUBB | P07437 | 1/20 | 0.32 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.32 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.32 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.32 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.32 |
| ▸ | TUBB3 | Q13509 | 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 | |
|---|---|---|---|---|
| SCHEMBL3649062 | 0.88 | PTGDR2 (0.32) | PTGDR2EDNRA | |
| SCHEMBL4024747 | 0.85 | PTGDR2 (0.35) | PTGDR2EDNRAMAPTGAADHFR | |
| SCHEMBL3650619 | 0.85 | ALDH1A1 (0.32) | PTGDR2MAPTGAAALDH1A1SMN1; SMN2 | |
| SCHEMBL3652892 | 0.84 | PPARG (0.33) | — | |
| SCHEMBL3652856 | 0.83 | ALDH1A1 (0.33) | PTGDR2MAPTLPAR1LPAR5ALDH1A1 | |
| SCHEMBL4131683 | 0.83 | EDNRA (0.40) | PTGDR2EDNRAMAPTGAADHFR | |
| SCHEMBL3647079 | 0.83 | — | — | |
| SCHEMBL4024750 | 0.81 | GAA (0.35) | PTGDR2EDNRAMAPTGAADHFR | |
| SCHEMBL3646377 | 0.81 | — | — | |
| SCHEMBL3649060 | 0.79 | PTGDR2 (0.31) | PTGDR2MAPTGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009041705-A9 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2009-08-13 | — | — | WO | disclosed |