Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.36 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.35 |
| ▸ | DAO | P14920 | 2/20 | 0.33 |
| ▸ | LSS | P48449 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22909233 | 0.81 | GFER (0.42) | MAOAMAOBTSHRCYP19A1 | |
| SCHEMBL22909374 | 0.81 | TAAR1 (0.39) | TSHR | |
| SCHEMBL22909268 | 0.78 | ALDH1A1 (0.41) | HSD17B10LOXL2HRH3 | |
| SCHEMBL22909382 | 0.72 | SIGMAR1 (0.40) | KCNH2 | |
| SCHEMBL10452241 | 0.71 | LOXL2 (0.56) | CYP2A6MAOAMAOBTSHRHSD17B10 | |
| SCHEMBL1004267 | 0.69 | LOXL2 (0.64) | CYP2A6MAOAMAOBTSHRHSD17B10 | |
| SCHEMBL22909581 | 0.68 | DAO (0.37) | MAOBKCNH2DAOIDO1 | |
| SCHEMBL22909469 | 0.67 | ALDH1A1 (0.37) | TSHR | |
| SCHEMBL10924184 | 0.67 | LSS (0.57) | CYP2A6NSD2TSHRHSD17B10LOXL2 | |
| SCHEMBL10452156 | 0.66 | TSHR (0.59) | CYP2A6MAOAMAOBTSHRHSD17B10 |
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-2021009568-A1 | BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF | 2692372 ONTARIO, INC. (CA) | 2021-01-21 | — | — | WO | disclosed |