Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP4 | P49662 | 1/20 | 0.40 |
| ▸ | CASP5 | P51878 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24681505 | 0.74 | PARP1 (0.39) | KDM4EGAACASP1HRH4ALDH1A1 | |
| SCHEMBL17827822 | 0.72 | SMN1; SMN2 (0.47) | CRHBPCRHR2SMN1; SMN2KDM4EL3MBTL1 | |
| SCHEMBL15264504 | 0.71 | CASP1 (0.37) | CRHBPCRHR2SMN1; SMN2TDP1CASP1 | |
| SCHEMBL20089107 | 0.66 | DGAT2 (0.43) | TDP1ALDH1A1MAPK1MAPTPOLB | |
| SCHEMBL5791348 | 0.65 | SMN1; SMN2 (0.68) | CRHBPCRHR2SMN1; SMN2KDM4EL3MBTL1 | |
| SCHEMBL19758232 | 0.65 | CRHBP (0.44) | CRHBPCRHR2SMN1; SMN2KDM4EL3MBTL1 | |
| SCHEMBL6467644 | 0.65 | HTR3E (0.70) | CRHBPCRHR2SMN1; SMN2KDM4EL3MBTL1 | |
| SCHEMBL12677961 | 0.65 | CRHBP (0.49) | CRHBPCRHR2SMN1; SMN2KDM4EL3MBTL1 | |
| SCHEMBL5387398 | 0.65 | SMN1; SMN2 (0.44) | CRHBPCRHR2SMN1; SMN2KDM4EL3MBTL1 | |
| SCHEMBL23258651 | 0.64 | MAPT (0.41) | CRHBPCRHR2SMN1; SMN2KDM4EL3MBTL1 |
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-1337251-A1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Pharma Company (US) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002102380-A1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-12-27 | — | — | WO | disclosed |