Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 2/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 12/20 | 0.35 |
| ▸ | CTSS | P25774 | 11/20 | 0.35 |
| ▸ | CTSL | P07711 | 11/20 | 0.35 |
| ▸ | CTSB | P07858 | 11/20 | 0.35 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.34 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.34 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.34 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.34 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4699905 | 0.91 | CTSS (0.41) | TGFBR1ACVR1CTSKCTSSCTSL | |
| SCHEMBL4703327 | 0.90 | CTSL (0.46) | ACVR1CTSKCTSSCTSLCTSB | |
| SCHEMBL4703250 | 0.90 | CTSL (0.46) | ACVR1CTSKCTSSCTSLCTSB | |
| SCHEMBL4703010 | 0.89 | CTSS (0.37) | CTSKCTSSCTSLCTSBESR1 | |
| SCHEMBL4701237 | 0.89 | CTSS (0.36) | CTSKCTSSCTSLCTSB | |
| SCHEMBL4701723 | 0.89 | KDM4E (0.35) | CTSKCTSSCTSLCTSBKDM4E | |
| SCHEMBL4699979 | 0.89 | CTSS (0.44) | CTSKCTSSCTSLCTSBTNIK | |
| SCHEMBL4702728 | 0.89 | RORC (0.35) | CTSKCTSSCTSLCTSBKDM4E | |
| SCHEMBL4703971 | 0.89 | CTSS (0.37) | TGFBR1ACVR1CTSKCTSSCTSL | |
| SCHEMBL4702148 | 0.88 | CTSS (0.40) | CTSKCTSSCTSLCTSBTNIK |
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 |
|---|---|---|---|---|---|---|---|
| EP-1372655-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2008-10-01 | — | — | EP | disclosed |