Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F11 | P03951 | 20/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 18/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29227901 | 0.86 | F11 (0.42) | F11KLKB1CYP3A4 | |
| SCHEMBL30995022 | 0.86 | F11 (0.42) | F11KLKB1CYP3A4 | |
| SCHEMBL24633397 | 0.80 | F11 (0.43) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL16971541 | 0.80 | F11 (0.42) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL28495547 | 0.79 | F11 (0.40) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL30623106 | 0.76 | F11 (0.48) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL16971695 | 0.75 | F11 (0.39) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL30995015 | 0.75 | F11 (0.48) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL21357595 | 0.75 | F11 (0.49) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL30995017 | 0.75 | F11 (0.48) | F11KLKB1CYP3A4F2F10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3099687-B1 | MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-07-04 | — | — | EP | disclosed |