Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 3/20 | 0.41 |
| ▸ | FKBP1A | P62942 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.35 |
| ▸ | XIAP | P98170 | 1/20 | 0.34 |
| ▸ | MLX | Q9UH92 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3688512 | 0.86 | CTSC (0.41) | CTSCFKBP1AKMT2AFKBP5XIAP | |
| SCHEMBL3662346 | 0.85 | KMT2A (0.45) | FKBP1ANPC1SMN1; SMN2MMP2MMP9 | |
| SCHEMBL3661348 | 0.83 | FKBP1A (0.39) | FKBP1ANPC1CTSKKMT2AFKBP5 | |
| SCHEMBL3656005 | 0.80 | CTSC (0.42) | CTSCCTSK | |
| SCHEMBL16478103 | 0.79 | CTSC (0.41) | CTSCCTSK | |
| SCHEMBL3657032 | 0.78 | CTSC (0.49) | CTSCCTSK | |
| SCHEMBL3659109 | 0.77 | FKBP1A (0.36) | FKBP1ATDP1KMT2AFKBP5XIAP | |
| SCHEMBL3657671 | 0.74 | CTSC (0.44) | CTSCMMP13 | |
| SCHEMBL3692633 | 0.73 | VHL (0.57) | XIAP | |
| SCHEMBL1499091 | 0.73 | CTSC (0.37) | CTSCMAPTTDP1SMN1; SMN2CTSK |
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-2010142985-A1 | SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL]PIPERIDIN-2-YLCARBOXMIDE COMPOUNDS 761 | ASTRAZENECA AB (SE) | 2010-12-16 | — | — | WO | disclosed |