Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 6/20 | 0.48 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17712848 | 0.83 | GRIN2D (0.61) | NFE2L2GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL17712851 | 0.83 | GRIN2D (0.61) | NFE2L2GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL2316355 | 0.79 | MAOB (0.43) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL2924111 | 0.78 | NFE2L2 (0.48) | NFE2L2GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL1968880 | 0.78 | NFE2L2 (0.48) | NFE2L2GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL1968882 | 0.78 | NFE2L2 (0.48) | NFE2L2GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL19631280 | 0.78 | NFE2L2 (0.48) | NFE2L2GRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL28115149 | 0.77 | NFE2L2 (0.47) | NFE2L2GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL11406890 | 0.75 | NFE2L2 (0.50) | NFE2L2GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL11406887 | 0.75 | NFE2L2 (0.50) | NFE2L2GRIN2DGRIN3BGRIN1GRIN2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2220061-B1 | SPIRO-CONDENSED 1, 3, 4-THIADIAZOLE DERIVATIVES FOR INHIBITING KSP KINESIN ACTIVITY | MERCK SHARP & DOHME (US) | 2016-02-17 | — | — | EP | disclosed |