Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28306556 | 0.77 | TSHR (0.38) | ALDH1A1CYP3A4GRIN2DGRIN3BGRIN1 | |
| SCHEMBL29973549 | 0.67 | GAA (0.46) | ALDH1A1GLACYP3A4GRIN2DGRIN3B | |
| SCHEMBL3214901 | 0.67 | ALDH1A1 (0.49) | ALDH1A1GLATYMSGRIN2DGRIN3B | |
| SCHEMBL3224636 | 0.67 | ALDH1A1 (0.49) | ALDH1A1GLATYMSGRIN2DGRIN3B | |
| SCHEMBL3649106 | 0.67 | GRIN2D (0.51) | ALDH1A1GLATYMSGRIN2DGRIN3B | |
| SCHEMBL28457520 | 0.64 | GRIN2D (0.54) | ALDH1A1GLAGRIN2DGRIN3BGRIN1 | |
| SCHEMBL27762149 | 0.64 | — | — | |
| SCHEMBL3469093 | 0.64 | ALDH1A1 (0.44) | ALDH1A1GLACYP3A4TYMSGRIN2D | |
| SCHEMBL29164812 | 0.62 | ALDH1A1 (0.40) | ALDH1A1CYP3A4GRIN2DGRIN3BGRIN1 | |
| SCHEMBL1161841 | 0.62 | ALDH1A1 (0.43) | ALDH1A1CYP3A4TYMSCTSBCYP2D6 |
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-103435561-B | A kind of Novel D-amino acid oxidase inhibitor and preparation thereof and application | 上海交通大学 | 2016-08-10 | — | — | CN | disclosed |