Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.34 |
| ▸ | F11 | P03951 | 11/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 9/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16974775 | 0.85 | NOTUM (0.42) | NOTUMKCNH2KCNMA1F11KLKB1 | |
| SCHEMBL29804049 | 0.85 | NOTUM (0.42) | NOTUMKCNH2KCNMA1F11KLKB1 | |
| SCHEMBL29865616 | 0.81 | PLAU (0.40) | NOTUMKCNMA1F11KLKB1 | |
| SCHEMBL29227953 | 0.80 | NOTUM (0.42) | NOTUMKCNH2KCNMA1F11KLKB1 | |
| SCHEMBL16974784 | 0.78 | NOTUM (0.47) | NOTUMF11KLKB1 | |
| SCHEMBL8004031 | 0.78 | F2 (0.44) | NOTUMF11KLKB1 | |
| SCHEMBL30995001 | 0.73 | NOTUM (0.43) | NOTUMKCNH2KCNMA1F11KLKB1 | |
| SCHEMBL29227915 | 0.73 | NOTUM (0.43) | NOTUMKCNH2KCNMA1F11KLKB1 | |
| SCHEMBL25321872 | 0.71 | NOTUM (0.45) | NOTUMKCNH2KCNMA1CYP3A4SIGMAR1 | |
| SCHEMBL15060116 | 0.71 | NOTUM (0.45) | NOTUMKCNH2KCNMA1F11KLKB1 |
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-3099688-A1 | MACROCYCLIC FACTOR XIA INHIBITORS CONDENSED WITH HETEROCYCLES | Bristol-Myers Squibb Company (US) | 2016-12-07 | — | — | EP | disclosed |
| WO-2015116882-A1 | MACROCYCLIC FACTOR XIA INHIBITORS CONDENSED WITH HETEROCYCLES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-06 | — | — | WO | disclosed |