Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.46 |
| ▸ | PDE1B | Q01064 | 7/20 | 0.37 |
| ▸ | TYK2 | P29597 | 3/20 | 0.37 |
| ▸ | STAT3 | P40763 | 2/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24263263 | 1.00 | HPGDS (0.46) | HPGDSPDE1BTYK2STAT3SCN9A | |
| SCHEMBL24263260 | 1.00 | HPGDS (0.46) | HPGDSPDE1BTYK2STAT3SCN9A | |
| SCHEMBL30452317 | 0.90 | HPGDS (0.36) | HPGDSPDE1BF10CNR2MCHR1 | |
| SCHEMBL30452676 | 0.90 | HPGDS (0.36) | HPGDSPDE1BF10CNR2MCHR1 | |
| SCHEMBL16794701 | 0.87 | YAP1 (0.41) | HPGDSPDE1BTYK2ALDH1A1POLB | |
| SCHEMBL16794653 | 0.87 | CNR2 (0.41) | TYK2ALDH1A1POLBF10CNR2 | |
| SCHEMBL25362408 | 0.86 | PDE1B (0.34) | PDE1BTYK2KDM4EALDH1A1POLB | |
| SCHEMBL25362399 | 0.86 | PDE1B (0.34) | PDE1BTYK2KDM4EALDH1A1POLB | |
| SCHEMBL24263562 | 0.86 | HPGDS (0.42) | HPGDSPDE1BTYK2STAT3SCN9A | |
| SCHEMBL16812491 | 0.86 | YAP1 (0.43) | HPGDSALDH1A1POLBSMN1; SMN2F10 |
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-2022037694-A1 | A CLASS OF FIVE- AND SIX-MEMBERED HETEROCYCLIC COMPOUNDS AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITORS | 轶诺(浙江)药业有限公司 | 2022-02-24 | — | — | WO | disclosed |