Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12631930 | 0.78 | CES2 (0.43) | CES2CES1ERN1GRIN2DGRIN3B | |
| SCHEMBL1710574 | 0.78 | CES2 (0.43) | CES2CES1ERN1GRIN2DGRIN3B | |
| SCHEMBL1710575 | 0.78 | CES2 (0.43) | CES2CES1ERN1GRIN2DGRIN3B | |
| SCHEMBL1161207 | 0.77 | GRIN2D (0.35) | CES2CES1ERN1GRIN2DGRIN3B | |
| SCHEMBL1161208 | 0.77 | GRIN2D (0.35) | CES2CES1ERN1GRIN2DGRIN3B | |
| SCHEMBL17526396 | 0.74 | NFE2L2 (0.48) | CES2CES1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL17712851 | 0.74 | GRIN2D (0.61) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL17712848 | 0.74 | GRIN2D (0.61) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL585592 | 0.70 | ERN1 (0.61) | CES2CES1ERN1CA1CA2 | |
| SCHEMBL16958836 | 0.70 | CES2 (0.43) | CES2CES1ERN1CA1CA2 |
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-2025052129-A1 | PYRIDINE DERIVATIVES WHICH ACT AS INHIBITORS OF MPTP. | NRG THERAPEUTICS LTD (GB) | 2025-03-13 | — | — | WO | disclosed |