Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM8 | O00222 | 1/20 | 0.50 |
| ▸ | GRM6 | O15303 | 1/20 | 0.50 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30811232 | 0.86 | TSHR (0.51) | GRM8GRM6GRM4TSHRCYP2D6 | |
| SCHEMBL29179989 | 0.86 | TSHR (0.51) | GRM8GRM6GRM4TSHRCYP2D6 | |
| SCHEMBL4658039 | 0.84 | CYP2D6 (0.52) | GRM8GRM6GRM4TSHRCYP2D6 | |
| SCHEMBL10531078 | 0.82 | TSHR (0.53) | TSHRCYP2C19MAOBALDH1A1CYP1A2 | |
| SCHEMBL6690963 | 0.82 | TSHR (0.58) | TSHRCYP2D6CYP2C9CYP2C19RECQL | |
| SCHEMBL2830701 | 0.79 | TSHR (0.57) | GRM8GRM6GRM4TSHRCYP2D6 | |
| SCHEMBL29466702 | 0.79 | TSHR (0.57) | TSHRCYP2D6CYP2C9CYP2C19RECQL | |
| SCHEMBL15562841 | 0.79 | TSHR (0.57) | TSHRCYP2D6CYP2C9CYP2C19RECQL | |
| SCHEMBL621794 | 0.78 | TRPV1 (0.56) | TSHRCYP2D6CYP2C9CYP2C19MAOB | |
| SCHEMBL4658235 | 0.78 | EPHX1 (0.52) | GRM8GRM6GRM4TSHRCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114907256-B | Preparation method of benidipine hydrochloride | 苏州东瑞制药有限公司 | 2024-01-12 | — | — | CN | disclosed |