Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CTSS | P25774 | 4/20 | 0.48 |
| ▸ | CTSK | P43235 | 3/20 | 0.48 |
| ▸ | PPARA | Q07869 | 4/20 | 0.46 |
| ▸ | PPARG | P37231 | 3/20 | 0.46 |
| ▸ | AKT1 | P31749 | 2/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6342947 | 1.00 | CA12 (0.50) | CA12CA1CA7CA14CTSS | |
| SCHEMBL8951255 | 1.00 | CA12 (0.50) | CA12CA1CA7CA14CTSS | |
| Hexane SCHEMBL28121925 | 0.86 | CTSK (0.45) | CA12CA1CA7CA14CTSS | |
| SCHEMBL6245825 | 0.86 | CTSS (0.51) | CA12CA1CA7CA14CTSS | |
| SCHEMBL3425341 | 0.85 | CA12 (0.49) | CA12CA1CA7CA14CTSS | |
| SCHEMBL22059597 | 0.85 | CA12 (0.49) | CA12CA1CA7CA14CTSS | |
| SCHEMBL6244243 | 0.84 | GRM2 (0.46) | MAPT | |
| SCHEMBL24816042 | 0.84 | CA12 (0.51) | CA12CA1CA7CA14CTSS | |
| SCHEMBL4729500 | 0.84 | CA12 (0.51) | CA12CA1CA7CA14CTSS | |
| SCHEMBL5756420 | 0.84 | CA12 (0.51) | CA12CA1CA7CA14CTSS |
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-1995000535-A1 | OPTICALLY PURE CALPAIN INHIBITOR COMPOUNDS | ALKERMES, INCORPORATED (US) | 1995-01-05 | — | — | WO | disclosed |