Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F11 | P03951 | 19/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 16/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28239007 | 0.86 | MAP4K4 (0.34) | F11KLKB1 | |
| SCHEMBL30622090 | 0.85 | F11 (0.40) | F11KLKB1MAPK10MAPK14 | |
| SCHEMBL28329473 | 0.83 | RXRA (0.37) | F11KLKB1CYP3A4F2 | |
| SCHEMBL28329357 | 0.83 | F11 (0.33) | F11KLKB1CYP3A4 | |
| SCHEMBL28329354 | 0.83 | FLT1 (0.37) | — | |
| SCHEMBL16971418 | 0.83 | F11 (0.40) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL16971541 | 0.80 | F11 (0.42) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL30995055 | 0.80 | F11 (0.40) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL30995013 | 0.80 | F11 (0.40) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL20336037 | 0.79 | F11 (0.42) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114874222-A | Carrying non-aromatic P2 , Novel macrocyclic form of factor XIA | 百时美施贵宝公司 | 2022-08-09 | — | — | CN | disclosed |
| CN-114805365-A | Carrying non-aromatic P2 , Novel macrocyclic form of factor XIA | 百时美施贵宝公司 | 2022-07-29 | — | — | CN | disclosed |
| CN-107849026-B | Factor XIA macrocyclic inhibitors bearing alkyl or cycloalkyl P2' moieties | 百时美施贵宝公司 | 2021-01-01 | — | — | CN | disclosed |