Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SSTR4 | P31391 | 1/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | GLS | O94925 | 3/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 5/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.33 |
| ▸ | TACR1 | P25103 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3652850 | 0.87 | SOS1 (0.39) | SSTR4SOS1PDK2CACNA1GCACNA1B | |
| SCHEMBL3649570 | 0.86 | HTR6 (0.34) | SOS1PDK2CACNA1GCACNA1BCACNA1C | |
| SCHEMBL4118030 | 0.86 | DHODH (0.36) | TACR1ROCK2DHODHHDAC1HDAC6 | |
| SCHEMBL3655557 | 0.84 | HTR2C (0.35) | SSTR4SOS1PDK2CACNA1GCACNA1B | |
| SCHEMBL3649821 | 0.83 | SSTR4 (0.38) | SSTR4SOS1PDK2CACNA1GCACNA1B | |
| SCHEMBL3653351 | 0.83 | GBA1 (0.35) | SOS1PDK2CACNA1GCACNA1BCACNA1C | |
| SCHEMBL3648527 | 0.81 | ABCC9 (0.35) | SOS1PDK2CACNA1GCACNA1BCACNA1C | |
| SCHEMBL3780114 | 0.80 | DHODH (0.31) | TACR1ROCK2DHODH | |
| SCHEMBL3654453 | 0.80 | L3MBTL1 (0.36) | SSTR4PDK2CACNA1GCACNA1BCACNA1C | |
| SCHEMBL3652596 | 0.80 | CACNA1G (0.34) | SSTR4SOS1PDK2CACNA1GCACNA1B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2190822-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2010-06-02 | — | — | EP | disclosed |
| 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 |