Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | CTSC | P53634 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | RPS6KB1 | P23443 | 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 | |
|---|---|---|---|---|
| SCHEMBL26481792 | 0.98 | CTSK (0.35) | CTSKCTSCGRIN2BRPS6KB1 | |
| SCHEMBL26481791 | 0.95 | CTSK (0.35) | CTSKCTSCGRIN2BRPS6KB1 | |
| SCHEMBL27410174 | 0.91 | MCHR1 (0.31) | CTSKCTSC | |
| SCHEMBL27410172 | 0.88 | MCHR1 (0.31) | CTSKCTSC | |
| SCHEMBL27410170 | 0.85 | MCHR1 (0.32) | CTSKCTSC | |
| SCHEMBL26565770 | 0.85 | RPS6KB1 (0.34) | RPS6KB1 | |
| SCHEMBL27027388 | 0.85 | CTSK (0.34) | CTSKCTSCGRIN2B | |
| SCHEMBL224331 | 0.83 | GRIN2B (0.34) | CTSKCTSCGRIN2BNPC1RAB9A | |
| SCHEMBL27027777 | 0.83 | S1PR1 (0.31) | NPC1RAB9A | |
| SCHEMBL26481790 | 0.83 | CYP3A4 (0.35) | CTSKCTSCGRIN2BNPC1TP53 |
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 |