Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.51 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.51 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.51 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.51 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.51 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL316047 | 0.81 | ALDH1A1 (0.60) | GAAHTTGRIN2DGRIN3BGRIN1 | |
| SCHEMBL10292838 | 0.79 | MAPT (0.46) | GAAHTTALDH1A1POLBHPGD | |
| SCHEMBL12020717 | 0.78 | ALDH1A1 (0.56) | GAAHTTGRIN2DGRIN3BGRIN1 | |
| SCHEMBL24463172 | 0.75 | ALDH1A1 (0.53) | GAAHTTALDH1A1POLBHPGD | |
| SCHEMBL8265257 | 0.75 | ALDH1A1 (0.53) | GAAHTTALDH1A1POLBHPGD | |
| SCHEMBL29954905 | 0.75 | ALDH1A1 (0.53) | GAAHTTALDH1A1POLBHPGD | |
| SCHEMBL5752586 | 0.75 | ALDH1A1 (0.53) | GAAHTTALDH1A1POLBHPGD | |
| SCHEMBL13041691 | 0.74 | ALDH1A1 (0.59) | GAAHTTALDH1A1POLBHPGD | |
| SCHEMBL8264566 | 0.74 | ALDH1A1 (0.56) | GAAHTTGRIN2DGRIN3BGRIN1 | |
| SCHEMBL14496860 | 0.73 | MAPT (0.46) | GAAHTTALDH1A1POLBHPGD |
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-2012009217-A1 | SPIROCYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |