Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRA | P11474 | 7/20 | 0.59 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.51 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | OGT | O15294 | 1/20 | 0.46 |
| ▸ | MIF | P14174 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL69876 | 0.85 | ESRRA (0.62) | ESRRAP2RX7NOTUMCA1CA2 | |
| SCHEMBL16401662 | 0.85 | ESRRA (0.54) | ESRRAP2RX7NOTUMCA1CA2 | |
| SCHEMBL27768462 | 0.85 | ESRRA (0.71) | ESRRAP2RX7NOTUMCA1CA2 | |
| SCHEMBL28801446 | 0.84 | ESRRA (0.60) | ESRRAP2RX7NOTUMCA1CA2 | |
| SCHEMBL14701729 | 0.83 | CA1 (0.56) | ESRRACA1CA2CA4CA9 | |
| SCHEMBL23153549 | 0.82 | ESRRA (0.59) | ESRRAP2RX7NOTUMCA1CA2 | |
| SCHEMBL19691104 | 0.82 | ESRRA (0.63) | ESRRAP2RX7NOTUMCA1CA2 | |
| SCHEMBL24784760 | 0.81 | ESRRA (0.55) | ESRRAP2RX7NOTUMCA1CA2 | |
| SCHEMBL24380262 | 0.81 | ESRRA (0.55) | ESRRAP2RX7NOTUMCA1CA2 | |
| SCHEMBL20646779 | 0.81 | ESRRA (0.55) | ESRRAP2RX7NOTUMCA1CA2 |
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-3954681-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2022-02-16 | — | — | EP | disclosed |
| EP-3402790-B1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-10-06 | — | — | EP | disclosed |