Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21060531 | 0.76 | IDO1 (0.51) | TSHRGAAMAPK1IDO1TBXAS1 | |
| SCHEMBL28701542 | 0.73 | TBXAS1 (0.35) | TSHRGAAMAPK1IDO1TBXAS1 | |
| SCHEMBL22445945 | 0.70 | CYP3A4 (0.44) | GAATBXAS1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL19915935 | 0.70 | IDO1 (0.39) | TSHRGAAMAPK1IDO1TBXAS1 | |
| SCHEMBL28708782 | 0.70 | ALDH1A1 (0.40) | TSHRMAPK1IDO1TBXAS1ALDH1A1 | |
| SCHEMBL18137441 | 0.68 | CYP2C9 (0.41) | GAAMAPK1TBXAS1ALDH1A1HTT | |
| SCHEMBL21113341 | 0.68 | ALDH1A1 (0.39) | TSHRGAATBXAS1ALDH1A1SMN1; SMN2 | |
| SCHEMBL19915857 | 0.67 | IDO1 (0.39) | TSHRGAAMAPK1IDO1TBXAS1 | |
| SCHEMBL28686852 | 0.67 | KCNH2 (0.33) | TSHRMAPK1IDO1TBXAS1ALDH1A1 | |
| SCHEMBL18137446 | 0.67 | CYP2C9 (0.40) | TSHRGAAMAPK1TBXAS1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3505517-A1 | FUSED HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | Beijing InnoCare Pharma Tech Co., Ltd. (CN) | 2019-07-03 | — | — | EP | disclosed |
| WO-2018036414-A1 | FUSED HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 北京诺诚健华医药科技有限公司 | 2018-03-01 | — | — | WO | disclosed |