Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3698954 | 0.85 | DCUN1D1 (0.44) | DCUN1D1ALDH1A1NPC1PKMRAB9A | |
| SCHEMBL28128068 | 0.83 | DCUN1D1 (0.42) | DCUN1D1ALDH1A1NPC1PKMRAB9A | |
| SCHEMBL31429625 | 0.79 | DCUN1D1 (0.45) | DCUN1D1ALDH1A1NPC1RAB9AMGAM | |
| SCHEMBL8784700 | 0.79 | GAA (0.47) | DCUN1D1ALDH1A1NPC1PKMRAB9A | |
| SCHEMBL5554694 | 0.78 | KDM4E (0.40) | GAAKDM4E | |
| SCHEMBL31429749 | 0.78 | ESR1 (0.39) | HSP90AA1ADORA2B | |
| SCHEMBL9617361 | 0.76 | TRPA1 (0.40) | L3MBTL1GAA | |
| SCHEMBL2780530 | 0.74 | POLB (0.41) | DCUN1D1ALDH1A1NPC1RAB9AL3MBTL1 | |
| SCHEMBL31429624 | 0.73 | MGAM (0.46) | DCUN1D1ALDH1A1MGAMGAASI | |
| SCHEMBL31429687 | 0.73 | AMY1A (0.42) | NPC1IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009041705-A9 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009041705-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-04-02 | — | — | WO | disclosed |