Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.53 |
| ▸ | JAK2 | O60674 | 2/20 | 0.45 |
| ▸ | JAK3 | P52333 | 2/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.42 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 3/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.36 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21747952 | 0.77 | JAK2 (0.52) | S1PR1JAK2JAK3S1PR3CDK9 | |
| SCHEMBL15880148 | 0.72 | HRH3 (0.48) | S1PR1JAK2JAK3SMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL1426687 | 0.71 | HRH3 (0.47) | S1PR1JAK2JAK3SMN1; SMN2MAPT | |
| SCHEMBL17785717 | 0.70 | JAK2 (0.41) | S1PR1JAK2JAK3SMN1; SMN2CDK9 | |
| SCHEMBL10922053 | 0.70 | CHEK1 (0.50) | HTR2CALDH1A1 | |
| SCHEMBL13416834 | 0.69 | S1PR1 (1.00) | S1PR1S1PR3SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL21760537 | 0.68 | S1PR1 (0.49) | S1PR1JAK2JAK3S1PR3ABCC4 | |
| SCHEMBL10926032 | 0.68 | TDP2 (0.53) | S1PR1SYKAURKBINCENPHTR2C | |
| SCHEMBL27993444 | 0.67 | CD274 (0.51) | SMN1; SMN2MAPTGAAALDH1A1KDM4E | |
| SCHEMBL23019983 | 0.67 | S1PR1 (0.55) | S1PR1JAK2JAK3S1PR3ABCC4 |
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-112585138-A | 4-substituted pyrrolo [2,3-b ] pyridines as ErbB modulators useful in the treatment of cancer | 利德探索中心有限公司 | 2021-03-30 | — | — | CN | disclosed |