Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL440528 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TDP1TAS1R3TAS1R1SNCA | |
| SCHEMBL13482690 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TDP1TAS1R3TAS1R1SNCA | |
| SCHEMBL3171176 | 0.82 | CA1 (0.44) | ALDH1A1TDP1TSHRTP53MAPT | |
| SCHEMBL29030380 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TDP1TAS1R3TAS1R1SNCA | |
| SCHEMBL28003597 | 0.81 | ALDH1A1 (0.64) | ALDH1A1MAPTKMT2AALDH5A1ABAT | |
| SCHEMBL24858286 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TDP1TAS1R3TAS1R1SNCA | |
| SCHEMBL181754 | 0.79 | ALDH1A1 (0.68) | ALDH1A1TDP1TAS1R3TAS1R1TSHR | |
| SCHEMBL12264951 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TDP1TAS1R3TAS1R1SNCA | |
| SCHEMBL8150377 | 0.79 | SNCA (0.46) | ALDH1A1TDP1TAS1R3TAS1R1SNCA | |
| SCHEMBL16812851 | 0.78 | KMT2A (0.54) | ALDH1A1TDP1MAPTGFERKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-107530343-A | Triazolylpyridine ketones compound as PDE2 inhibitor | 默沙东公司 | 2018-01-02 | — | — | CN | disclosed |