Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.48 |
| ▸ | CCR2 | P41597 | 2/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2409477 | 0.69 | NPC1 (0.60) | NPC1 | |
| SCHEMBL7004786 | 0.68 | TACR1 (0.46) | TACR1CCR2SMYD3 | |
| SCHEMBL4275102 | 0.68 | CACNA1I (0.57) | TACR1CCR2NPC1 | |
| SCHEMBL4271227 | 0.66 | KCNH2 (0.52) | TACR1CCR2 | |
| SCHEMBL6998903 | 0.66 | TACR1 (0.54) | TACR1 | |
| SCHEMBL8640586 | 0.66 | TACR1 (0.55) | TACR1SMYD3BACE1BACE2 | |
| SCHEMBL19301048 | 0.66 | TACR1 (0.56) | TACR1SMYD3BACE1BACE2 | |
| SCHEMBL30864972 | 0.66 | KCNH2 (0.67) | TACR1 | |
| SCHEMBL3569054 | 0.65 | BACE1 (0.57) | SMYD3NPC1P2RX7BACE1BACE2 | |
| SCHEMBL5175724 | 0.65 | SMYD3 (0.55) | SMYD3NPC1P2RX7BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1286967-A1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001087838-A1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-22 | — | — | WO | disclosed |