Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | OXTR | P30559 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19200534 | 0.86 | MEN1 (0.49) | CES2CES1RAB9ANPY2RSLC6A2 | |
| SCHEMBL20696322 | 0.86 | CES2 (0.40) | CES2CES1RAB9ANPY2RSLC6A2 | |
| SCHEMBL19200250 | 0.84 | CES2 (0.39) | CES2CES1RAB9ANPY2ROXTR | |
| SCHEMBL19182797 | 0.84 | LMNA (0.45) | CES2CES1RAB9ANPY2RSLC6A2 | |
| SCHEMBL19200351 | 0.83 | CES2 (0.38) | CES2CES1RAB9ANPY2RSLC6A2 | |
| SCHEMBL15063187 | 0.79 | GAA (0.50) | CES2CES1RAB9ANPY2RSLC6A2 | |
| SCHEMBL15797720 | 0.78 | CHRNB2 (0.42) | CES2CES1RAB9ANPY2RSLC6A2 | |
| SCHEMBL19200536 | 0.73 | CES2 (0.35) | CES2CES1OXTRNR3C2TDP1 | |
| SCHEMBL15063166 | 0.72 | CHRM3 (0.46) | ALDH1A1 | |
| SCHEMBL15063164 | 0.72 | CHRM3 (0.46) | ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017131221-A1 | INDANE DERIVATIVES AS MGLUR7 MODULATORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-08-03 | — | — | WO | disclosed |