Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 4/20 | 0.50 |
| ▸ | ITGB1 | P05556 | 6/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 6/20 | 0.39 |
| ▸ | ITGB7 | P26010 | 5/20 | 0.39 |
| ▸ | TACR2 | P21452 | 2/20 | 0.39 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.39 |
| ▸ | ECE1 | P42892 | 2/20 | 0.38 |
| ▸ | NPPA | P01160 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL299037 | 0.94 | CTSC (0.49) | CTSCITGB1ITGA4ITGB7TACR2 | |
| SCHEMBL16478309 | 0.91 | CTSC (0.47) | CTSCITGB1ITGA4ITGB7TACR2 | |
| SCHEMBL16478310 | 0.91 | CTSC (0.47) | CTSCITGB1ITGA4ITGB7TACR2 | |
| SCHEMBL299685 | 0.90 | CTSC (0.49) | CTSCITGB1ITGA4ITGB7TACR2 | |
| SCHEMBL16478294 | 0.87 | CTSC (0.45) | CTSCITGB1ITGA4ITGB7TACR2 | |
| SCHEMBL16478321 | 0.86 | CTSC (0.45) | CTSCITGB1ITGA4ITGB7TACR2 | |
| SCHEMBL7867141 | 0.85 | CTSC (0.47) | CTSCITGB1ITGA4ITGB7TACR2 | |
| SCHEMBL9888335 | 0.85 | CTSC (0.46) | CTSCITGB1ITGA4ITGB7TACR2 | |
| SCHEMBL2885392 | 0.82 | CTSC (0.62) | CTSCKCNH2 | |
| SCHEMBL7873698 | 0.81 | CTSC (0.46) | CTSCITGB1ITGA4ITGB7TACR2 |
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-2011154677-A1 | SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL] 1-AMINOCYCLOALK-1-YLCARBOXAMIDE COMPOUNDS - 760 | ASTRAZENECA AB (SE) | 2011-12-15 | — | — | WO | disclosed |