Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | S100A4 | P26447 | 1/20 | 0.34 |
| ▸ | 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 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL10566686 | 0.92 | GPR35 (0.36) | GPR35ALDH1A1TDP1S100A4GRIN2D | |
| SCHEMBL8306891 | 0.83 | GPR35 (0.36) | GPR35ALDH1A1TDP1S100A4GRIN2D | |
| SCHEMBL27484155 | 0.83 | GPR35 (0.36) | GPR35ALDH1A1TDP1S100A4GRIN2D | |
| SCHEMBL8110757 | 0.82 | TDP1 (0.39) | ALDH1A1TDP1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7178373 | 0.82 | TDP1 (0.39) | ALDH1A1TDP1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL12168496 | 0.82 | TDP1 (0.42) | ALDH1A1TDP1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL25355025 | 0.80 | S100A4 (0.38) | GPR35S100A4GRIN2DGRIN3BGRIN1 | |
| SCHEMBL17115731 | 0.80 | TDP1 (0.38) | ALDH1A1TDP1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL25786842 | 0.80 | TDP1 (0.38) | ALDH1A1TDP1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7794447 | 0.80 | S100A4 (0.40) | GPR35S100A4GRIN2DGRIN3BGRIN1 |
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-105777756-A | Heteroaryl compound and application thereof in medicines | 广东东阳光药业有限公司 | 2016-07-20 | — | — | CN | disclosed |