Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 7/20 | 0.35 |
| ▸ | BACE1 | P56817 | 3/20 | 0.33 |
| ▸ | BIRC3 | Q13489 | 5/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | XIAP | P98170 | 2/20 | 0.31 |
| ▸ | BIRC2 | Q13490 | 2/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP7 | P09237 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | MMP14 | P50281 | 1/20 | 0.31 |
| ▸ | MMP15 | P51511 | 1/20 | 0.31 |
| ▸ | MMP16 | P51512 | 1/20 | 0.31 |
| ▸ | GRB2 | P62993 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8035850 | 0.91 | ADAM17 (0.37) | ADAM17BACE1BIRC3CCR2MMP1 | |
| SCHEMBL13685392 | 0.88 | ADAM17 (0.34) | ADAM17BACE1 | |
| SCHEMBL8291664 | 0.86 | CTSD (0.40) | BACE1CTSD | |
| SCHEMBL8291408 | 0.84 | ADAM17 (0.38) | ADAM17BIRC3CCR2MMP1MMP2 | |
| SCHEMBL8290331 | 0.83 | CAPN2 (0.37) | ADAM17BACE1BIRC3CCR2F2 | |
| SCHEMBL8290330 | 0.79 | CAPN2 (0.37) | ADAM17BIRC3CCR2F2F10 | |
| SCHEMBL13685396 | 0.79 | ADAM17 (0.37) | ADAM17BACE1CCR2MMP1MMP2 | |
| SCHEMBL8290325 | 0.77 | ADAM17 (0.39) | ADAM17BIRC3F2F10PRSS1 | |
| SCHEMBL13685135 | 0.77 | BACE1 (0.35) | BACE1CTSD | |
| SCHEMBL8290694 | 0.73 | CTSD (0.38) | BACE1CTSD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005030796-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-04-07 | — | — | WO | disclosed |