Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.53 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.53 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.53 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.44 |
| ▸ | GBA1 | P04062 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.38 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4550243 | 0.87 | PIK3CD (0.52) | CACNA2D1CACNA1BCACNB1PIK3CDCYP1A2 | |
| SCHEMBL18389995 | 0.86 | CXCR3 (0.43) | CACNA2D1CACNA1BCACNB1GNAI3GNAO1 | |
| SCHEMBL4475140 | 0.84 | CACNA2D1 (0.58) | CACNA2D1CACNA1BCACNB1GBA1HRH3 | |
| SCHEMBL13993923 | 0.84 | SMN1; SMN2 (0.49) | CACNA2D1CACNA1BCACNB1PIK3CDCYP1A2 | |
| SCHEMBL13775492 | 0.82 | SMN1; SMN2 (0.56) | PIK3CDCYP1A2TDP1HRH3SMN1; SMN2 | |
| SCHEMBL19013633 | 0.82 | CACNA2D1 (0.50) | CACNA2D1CACNA1BCACNB1GBA1ACHE | |
| SCHEMBL22358970 | 0.82 | CACNA2D1 (0.50) | CACNA2D1CACNA1BCACNB1GBA1SMN1; SMN2 | |
| SCHEMBL25628606 | 0.82 | CACNA2D1 (0.53) | CACNA2D1CACNA1BCACNB1PIK3CDGBA1 | |
| SCHEMBL14422030 | 0.81 | GBA1 (0.48) | CACNA2D1CACNA1BCACNB1GBA1GNAI3 | |
| SCHEMBL4067141 | 0.81 | CYP1A2 (0.55) | CACNA2D1CACNA1BCACNB1PIK3CDCYP1A2 |
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-2023093845-A1 | CHIMERIC COMPOUND FOR TARGETED DEGRADATION OF ANDROGEN RECEPTOR PROTEIN, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2023-06-01 | — | — | WO | disclosed |