Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.72 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPC1L1 | Q9UHC9 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2115205 | 1.00 | CTSS (0.72) | CTSSDGAT2MAPTALDH1A1TP53 | |
| SCHEMBL2112156 | 0.92 | CTSS (0.67) | CTSSDGAT2MAPTALDH1A1TP53 | |
| SCHEMBL2710859 | 0.92 | CTSS (0.67) | CTSSDGAT2MAPTALDH1A1TP53 | |
| SCHEMBL2113182 | 0.86 | CTSS (0.65) | CTSSMAPTCHRM2CHRM4CHRM1 | |
| SCHEMBL2115295 | 0.86 | CTSS (0.55) | CTSSDGAT2MAPTALDH1A1TP53 | |
| SCHEMBL2732555 | 0.86 | CTSS (0.55) | CTSSDGAT2MAPTALDH1A1TP53 | |
| SCHEMBL2112569 | 0.86 | CTSS (0.66) | CTSSMAPTALDH1A1TP53LMNA | |
| Hydrochloric Acid SCHEMBL2113519 | 0.85 | CTSS (0.54) | CTSSDGAT2MAPTALDH1A1TP53 | |
| SCHEMBL2114397 | 0.85 | CTSS (0.73) | CTSSMAPTNPC1L1CHRM2CHRM4 | |
| SCHEMBL2112566 | 0.85 | CTSS (0.68) | CTSSDGAT2MAPTALDH1A1TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2630141-A1 | CATHEPSIN S INHIBITOR COMPOUNDS | Eli Lilly and Company (US) | 2013-08-28 | — | — | EP | disclosed |
| WO-2012054315-A1 | CATHEPSIN S INHIBITOR COMPOUNDS | ELI LILLY AND COMPANY (US) | 2012-04-26 | — | — | WO | disclosed |