Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 6/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | CSF1R | P07333 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | LTK | P29376 | 1/20 | 0.35 |
| ▸ | GRK5 | P34947 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19915857 | 0.82 | IDO1 (0.39) | IDO1ALDH1A1KDM4EHPGDTSHR | |
| SCHEMBL19915938 | 0.81 | TBXAS1 (0.39) | IDO1TBXAS1 | |
| SCHEMBL21060531 | 0.77 | IDO1 (0.51) | IDO1ALDH1A1KDM4EHPGDTSHR | |
| SCHEMBL19915858 | 0.77 | IDO1 (0.50) | IDO1ALDH1A1MAPK1HTT | |
| SCHEMBL1616007 | 0.74 | KDM4E (0.48) | IDO1ALDH1A1KDM4EHPGDTSHR | |
| SCHEMBL28708782 | 0.73 | ALDH1A1 (0.40) | IDO1ALDH1A1KDM4EHPGDTSHR | |
| SCHEMBL26693866 | 0.72 | GAA (0.35) | IDO1ALDH1A1KDM4EHSD17B10MAPK1 | |
| SCHEMBL28701542 | 0.71 | TBXAS1 (0.35) | IDO1ALDH1A1KDM4EHPGDTSHR | |
| SCHEMBL19915958 | 0.70 | TSHR (0.36) | IDO1ALDH1A1KDM4ETSHRMAPK1 | |
| SCHEMBL28686852 | 0.70 | KCNH2 (0.33) | IDO1ALDH1A1KDM4EHPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| 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 |