Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | MAP3K12 | Q12852 | 10/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL18680202 | 0.76 | GBA1 (0.42) | GBA1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11972565 | 0.74 | — | — | |
| SCHEMBL16780030 | 0.74 | GBA1 (0.57) | GBA1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL20519453 | 0.72 | GBA1 (0.46) | GBA1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL20115395 | 0.72 | GBA1 (0.42) | GBA1MAP3K12CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL22098589 | 0.72 | GBA1 (0.42) | GBA1MAP3K12CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL20635076 | 0.69 | GBA1 (0.47) | GBA1MAP3K12CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL16780198 | 0.69 | KDM1A (0.50) | CYP2D6SLC6A2SLC6A3KCNH2 | |
| SCHEMBL16780199 | 0.69 | KDM1A (0.50) | CYP2D6SLC6A2SLC6A3KCNH2 | |
| SCHEMBL16804419 | 0.69 | KDM1A (0.50) | CYP2D6SLC6A2SLC6A3KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3247692-B1 | INHIBITORS OF TRKA KINASE | GVK BIOSCIENCES PRIVATE LTD (IN) | 2022-09-07 | — | — | EP | disclosed |