Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SELE | P16581 | 2/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3547186 | 0.77 | NOS1 (0.38) | NOS1SMN1; SMN2 | |
| SCHEMBL25303281 | 0.73 | PIK3CA (0.32) | — | |
| SCHEMBL13667855 | 0.68 | SELE (0.41) | SELEVCAM1CYP1A2TMIGD3CYP2C9 | |
| SCHEMBL10202299 | 0.68 | SRC (0.33) | MAPK1ALDH1A1 | |
| SCHEMBL16672178 | 0.68 | EGLN1 (0.33) | MAPK1 | |
| SCHEMBL2605752 | 0.67 | GRIN3B (0.47) | SELEVCAM1CYP1A2TMIGD3CYP2C9 | |
| SCHEMBL14817495 | 0.67 | GRIN3B (0.42) | SELEVCAM1CYP1A2TMIGD3CYP2C9 | |
| SCHEMBL13667857 | 0.65 | AR (0.32) | — | |
| SCHEMBL13976072 | 0.64 | SELE (0.38) | SELEVCAM1CYP1A2CYP2C9ICAM1 | |
| SCHEMBL14273669 | 0.64 | SELE (0.38) | SELEVCAM1CYP1A2TMIGD3CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117263952-A | Condensed-cyclic compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2023-12-22 | — | — | CN | disclosed |
| CN-111836814-B | Condensed-cyclic compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2023-10-20 | — | — | CN | disclosed |