Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.32 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.32 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.31 |
| ▸ | GBA1 | P04062 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25355467 | 1.00 | TSHR (0.34) | TSHRIDO1CHRNB2CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL23581405 | 0.98 | IDO1 (0.33) | TSHRIDO1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL16261269 | 0.76 | — | — | |
| SCHEMBL7140197 | 0.75 | CHRNB2 (0.34) | TSHRCHRNB2CHRNB4CHRNA3CHRNA4 | |
| Hydrochloric Acid SCHEMBL6745243 | 0.74 | CHRNB2 (0.33) | TSHRCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL22235495 | 0.72 | SSTR4 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7 | |
| Hydrochloric Acid SCHEMBL25357624 | 0.71 | CPN1 (0.34) | IDO1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL904133 | 0.70 | — | — | |
| SCHEMBL31487413 | 0.70 | — | — | |
| SCHEMBL16845146 | 0.70 | GBA1 (0.48) | CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7 |
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-2023151473-A1 | KHK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海研健新药研发有限公司 | 2023-08-17 | — | — | WO | disclosed |