Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.35 |
| ▸ | MTOR | P42345 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | QDPR | P09417 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL22908446 | 0.92 | PIK3CA (0.38) | CYP2D6TSHRCYP1A2PIK3CAMTOR | |
| SCHEMBL21285096 | 0.92 | TSHR (0.40) | CYP2D6TSHRCYP1A2MAPTKCNA3 | |
| SCHEMBL21285032 | 0.88 | CYP2D6 (0.38) | CYP2D6TSHRCYP1A2MAPTKCNA3 | |
| SCHEMBL22908448 | 0.88 | PIK3CA (0.35) | CYP2D6TSHRCYP1A2PIK3CAMTOR | |
| SCHEMBL22908536 | 0.87 | CYP2D6 (0.37) | CYP2D6TSHRCYP1A2MAPTKCNA3 | |
| SCHEMBL22908450 | 0.87 | TSHR (0.35) | CYP2D6TSHRCYP1A2PIK3CAMTOR | |
| SCHEMBL21274392 | 0.81 | USP2 (0.35) | CYP2D6TSHRCYP1A2MEN1CYP2C9 | |
| SCHEMBL22908436 | 0.80 | CYP1A2 (0.39) | CYP2D6TSHRCYP1A2MEN1CYP2C9 | |
| SCHEMBL29341752 | 0.80 | CYP3A4 (0.35) | CYP2D6TSHRCYP1A2MEN1CYP2C9 | |
| SCHEMBL21344241 | 0.79 | CYP2D6 (0.42) | CYP2D6TSHRCYP1A2MEN1CYP2C9 |
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-2021009048-A1 | HERBICIDAL CYCLOHEXANEDIONE DERIVATIVES | SYNGENTA CROP PROTECTION AG (CH) | 2021-01-21 | — | — | WO | disclosed |