Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 3/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | CTSC | P53634 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | PTPN5 | P54829 | 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 | |
|---|---|---|---|---|
| SCHEMBL26566718 | 0.89 | CYP17A1 (0.33) | GRIN2BCTSKCTSCCYP17A1MMP2 | |
| SCHEMBL26482551 | 0.85 | CYP17A1 (0.32) | GRIN2BCTSKCTSCCYP17A1 | |
| SCHEMBL26482548 | 0.85 | SLC6A4 (0.35) | GRIN2BCTSKCTSCCYP17A1MMP2 | |
| SCHEMBL224331 | 0.84 | GRIN2B (0.34) | GRIN2BCTSKCTSCCYP17A1NPC1 | |
| SCHEMBL224532 | 0.81 | RARB (0.36) | GRIN2BCTSKCTSCCYP17A1NPC1 | |
| SCHEMBL26566721 | 0.80 | MAOB (0.34) | GRIN2BCYP17A1PTGS2 | |
| SCHEMBL26481784 | 0.78 | CTSK (0.35) | GRIN2BCTSKCTSCNPC1RAB9A | |
| SCHEMBL26481787 | 0.76 | CTSK (0.34) | GRIN2BCTSKCTSCPTGS2 | |
| SCHEMBL26481791 | 0.76 | CTSK (0.35) | GRIN2BCTSKCTSC | |
| SCHEMBL26481790 | 0.76 | CYP3A4 (0.35) | GRIN2BCTSKCTSCNPC1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-20240067879-A1 | Liquid-crystal medium | MERCK PATENT GMBH (DE) | 2024-02-29 | — | — | US | disclosed |
| US-20230323207-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2023-10-12 | — | — | US | disclosed |