Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | AKT1 | P31749 | 3/20 | 0.45 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 5/20 | 0.41 |
| ▸ | CTSL | P07711 | 3/20 | 0.41 |
| ▸ | CTSB | P07858 | 3/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17844739 | 1.00 | CA12 (0.47) | CA12CA1CA7CA14IDO1 | |
| SCHEMBL28283597 | 0.82 | CTSS (0.37) | CA12CA1CA7CA14IDO1 | |
| SCHEMBL615874 | 0.82 | PPARA (0.49) | CA12CA1CA7CA14IDO1 | |
| SCHEMBL615875 | 0.82 | PPARA (0.49) | CA12CA1CA7CA14IDO1 | |
| SCHEMBL27640573 | 0.81 | CTSS (0.48) | ATMCTSSCTSKKMT2A | |
| SCHEMBL4245008 | 0.79 | CA12 (0.50) | CA12CA1KMT2AL3MBTL1 | |
| SCHEMBL4245012 | 0.79 | CA12 (0.50) | CA12CA1KMT2AL3MBTL1 | |
| SCHEMBL14693808 | 0.79 | LMNA (0.44) | — | |
| SCHEMBL8953422 | 0.78 | NFKB1 (0.45) | CA12CA1CA7CA14AKT1 | |
| SCHEMBL20212425 | 0.78 | NFKB1 (0.45) | CA12CA1CA7CA14AKT1 |
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-2016095088-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |