Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CDC7 | O00311 | 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 | |
|---|---|---|---|---|
| SCHEMBL23576483 | 1.00 | ALDH1A1 (0.48) | ALDH1A1NOS3NOS1NOS2CHRNB2 | |
| SCHEMBL20951048 | 0.82 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2GRM4KDM4ECDC7 | |
| SCHEMBL31220021 | 0.81 | CYP1A2 (0.52) | ALDH1A1CHRNB2CHRNA4ABL1CYP1A2 | |
| SCHEMBL30669490 | 0.77 | — | — | |
| SCHEMBL1644729 | 0.77 | — | — | |
| SCHEMBL2757283 | 0.76 | CYP1A2 (0.52) | ALDH1A1CYP1A2SMN1; SMN2CYP2A6GRM4 | |
| SCHEMBL8268451 | 0.76 | CYP1A2 (0.54) | ALDH1A1ABL1CYP1A2SMN1; SMN2CYP2A6 | |
| SCHEMBL14970138 | 0.75 | CYP1A2 (0.56) | ALDH1A1NOS3NOS1NOS2ABL1 | |
| SCHEMBL16641781 | 0.74 | ALDH1A1 (0.42) | ALDH1A1CHRNB2CHRNA4CYP1A2CYP3A4 | |
| SCHEMBL557986 | 0.71 | NOS3 (0.62) | ALDH1A1NOS3NOS1NOS2ABL1 |
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-4081296-A1 | DIHYDROCYCLOPENTA-ISOQUINOLINE-SULFONAMIDE DERIVATIVES COMPOUNDS | UCB Biopharma SRL (BE) | 2022-11-02 | — | — | EP | disclosed |
| CN-114845778-A | Dihydrocyclopentaisoquinoline sulfonamide derivative compound | UCB生物制药有限责任公司 | 2022-08-02 | — | — | CN | disclosed |