Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.45 |
| ▸ | CFTR | P13569 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7246231 | 0.84 | TSHR (0.67) | SMN1; SMN2TSHRGAACYP17A1CFTR | |
| SCHEMBL10966428 | 0.75 | SMN1; SMN2 (0.71) | SMN1; SMN2TSHRGAACYP17A1CFTR | |
| SCHEMBL9200850 | 0.75 | CYP2A6 (0.66) | SMN1; SMN2MKNK1MKNK2LMNACYP2A6 | |
| SCHEMBL30476552 | 0.75 | SMN1; SMN2 (1.00) | SMN1; SMN2TSHRGAACYP17A1CFTR | |
| SCHEMBL28001042 | 0.75 | SMN1; SMN2 (1.00) | SMN1; SMN2TSHRGAACYP17A1CFTR | |
| SCHEMBL477633 | 0.75 | SMN1; SMN2 (1.00) | SMN1; SMN2TSHRGAACYP17A1CFTR | |
| SCHEMBL30476558 | 0.75 | SMN1; SMN2 (1.00) | SMN1; SMN2TSHRGAACYP17A1CFTR | |
| SCHEMBL477393 | 0.75 | SMN1; SMN2 (1.00) | SMN1; SMN2TSHRGAACYP17A1CFTR | |
| SCHEMBL10968928 | 0.74 | SMN1; SMN2 (0.82) | SMN1; SMN2TSHRGAAMKNK1MKNK2 | |
| SCHEMBL11071952 | 0.73 | TSHR (0.54) | SMN1; SMN2TSHRGAACYP17A1CFTR |
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-114127066-A | Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase | 爱杜西亚药品有限公司 | 2022-03-01 | — | — | CN | disclosed |