Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 3/20 | 0.53 |
| ▸ | CTSS | P25774 | 4/20 | 0.48 |
| ▸ | CTSK | P43235 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | CTSA | P10619 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19744343 | 1.00 | CYP26A1 (0.53) | CYP26A1CTSSCTSKATMMEN1 | |
| SCHEMBL28293920 | 0.88 | CTSS (0.45) | CYP26A1CTSSCTSKATMMEN1 | |
| SCHEMBL28265926 | 0.88 | CTSS (0.45) | CYP26A1CTSSCTSKATMMEN1 | |
| SCHEMBL27886474 | 0.88 | CTSS (0.45) | CYP26A1CTSSCTSKATMMEN1 | |
| SCHEMBL24198500 | 0.86 | CTSS (0.47) | CTSSCTSKATMMEN1KMT2A | |
| SCHEMBL19744371 | 0.85 | CTSA (0.55) | CTSA | |
| SCHEMBL31757758 | 0.85 | CTSA (0.55) | CTSA | |
| SCHEMBL19744367 | 0.85 | CTSA (0.55) | CTSA | |
| SCHEMBL31757886 | 0.85 | CTSS (0.44) | CTSSCTSKATMMEN1KMT2A | |
| SCHEMBL1157183 | 0.84 | CTSA (0.50) | CTSSCTSKCTSA |
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-2017222083-A1 | NOVEL COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-12-28 | — | — | WO | disclosed |