Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | CTSC | P53634 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | GRIA4 | P48058 | 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 | |
|---|---|---|---|---|
| SCHEMBL26481776 | 0.89 | GRIN2B (0.32) | CYP17A1MMP2MMP9MMP12GRIN2B | |
| SCHEMBL26482551 | 0.86 | CYP17A1 (0.32) | CYP17A1GRIN2BCTSKCTSC | |
| SCHEMBL26482548 | 0.86 | SLC6A4 (0.35) | CYP17A1MMP2MMP9MMP12GRIN2B | |
| SCHEMBL224331 | 0.82 | GRIN2B (0.34) | CYP17A1GRIN2BCTSKCTSC | |
| SCHEMBL24301045 | 0.79 | KMT2A (0.33) | CYP17A1ALDH1A1 | |
| SCHEMBL224532 | 0.78 | RARB (0.36) | CYP17A1GRIN2BCTSKCTSCALDH1A1 | |
| SCHEMBL26566721 | 0.77 | MAOB (0.34) | CYP17A1GRIN2B | |
| SCHEMBL26481784 | 0.76 | CTSK (0.35) | GRIN2BCTSKCTSC | |
| SCHEMBL21919623 | 0.75 | ANPEP (0.43) | CYP17A1ALDH1A1USP2GAAPKM | |
| SCHEMBL26481790 | 0.74 | CYP3A4 (0.35) | GRIN2BCTSKCTSCALDH1A1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024126567-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2024-06-20 | — | — | WO | disclosed |
| WO-2023198671-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2023-10-19 | — | — | WO | disclosed |