Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.44 |
| ▸ | RBP4 | P02753 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.39 |
| ▸ | WDR5 | P61964 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | P4HB | P07237 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 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 | |
|---|---|---|---|---|
| SCHEMBL1763861 | 0.87 | PDK4 (0.50) | WDR5 | |
| SCHEMBL1763543 | 0.87 | ADH5 (0.41) | MMP2MMP3MAPTTRPV1NPC1 | |
| SCHEMBL27195866 | 0.86 | NOTUM (0.46) | NOTUMRBP4PDK2 | |
| SCHEMBL28932542 | 0.85 | XDH (0.47) | MAPTTDP1KDM4ENPC1RAB9A | |
| SCHEMBL3226352 | 0.83 | MAPT (0.37) | MMP2MMP3MAPTTRPV1WDR5 | |
| SCHEMBL17397740 | 0.82 | TDP1 (0.41) | MMP2MMP3MAPTTDP1KDM4E | |
| SCHEMBL28437327 | 0.81 | MAPT (0.43) | MMP2MMP3MAPTTRPV1WDR5 | |
| SCHEMBL28909629 | 0.80 | TSHR (0.46) | MMP2MMP3MAPTTRPV1NPC1 | |
| SCHEMBL1843208 | 0.80 | VCAM1 (0.44) | TDP1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22077172 | 0.79 | NOTUM (0.50) | NOTUMRBP4PDK2P4HBKDM4E |
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-2321274-A1 | PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010005783-A1 | PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-01-14 | — | — | WO | disclosed |