Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 9/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.32 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.32 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.32 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.32 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3700978 | 0.93 | HTR2C (0.45) | HTR2CSLC6A4HTR2AALDH1A1THRB | |
| SCHEMBL4130773 | 0.88 | ALDH1A1 (0.37) | HTR2CHTR2AALDH1A1THRBGPBAR1 | |
| SCHEMBL3814403 | 0.88 | HTR2C (0.38) | HTR2CSLC6A4HTR2AALDH1A1KAT6A | |
| SCHEMBL3697102 | 0.87 | HTR2C (0.41) | HTR2CSLC6A4HTR2AGPBAR1KAT6A | |
| SCHEMBL3700225 | 0.87 | HTR2C (0.39) | HTR2CSLC6A4HTR2AALDH1A1KAT6A | |
| SCHEMBL3697673 | 0.87 | HTR2C (0.39) | HTR2CSLC6A4HTR2AALDH1A1KAT6A | |
| SCHEMBL3696324 | 0.87 | HTR2C (0.40) | HTR2CSLC6A4HTR2AALDH1A1KAT6A | |
| SCHEMBL3698587 | 0.87 | HTR2C (0.42) | HTR2CSLC6A4HTR2AALDH1A1KAT6A | |
| SCHEMBL3706785 | 0.87 | HTR2C (0.40) | HTR2CSLC6A4HTR2AALDH1A1THRB | |
| SCHEMBL3700004 | 0.86 | HTR2C (0.39) | HTR2CSLC6A4HTR2AALDH1A1KAT6A |
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 |