Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 11/20 | 0.36 |
| ▸ | CTSS | P25774 | 7/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL211828 | 0.88 | CTSK (0.37) | CTSKCTSSATMCA1CA2 | |
| SCHEMBL211829 | 0.88 | CTSK (0.37) | CTSKCTSSATMCA1CA2 | |
| SCHEMBL211029 | 0.83 | CA1 (0.36) | CTSKCTSSATMCA1CA2 | |
| SCHEMBL211028 | 0.83 | CA1 (0.36) | CTSKCTSSATMCA1CA2 | |
| SCHEMBL7346754 | 0.82 | CA1 (0.38) | CTSKCTSSATMCA1CA2 | |
| SCHEMBL4520424 | 0.82 | CA1 (0.38) | CTSKCTSSATMCA1CA2 | |
| SCHEMBL1262397 | 0.82 | CA1 (0.38) | CTSKCTSSATMCA1CA2 | |
| SCHEMBL1861342 | 0.82 | CA1 (0.40) | CTSKCTSSATMCA1CA2 | |
| SCHEMBL3227264 | 0.82 | CA1 (0.40) | CTSKCTSSATMCA1CA2 | |
| SCHEMBL1861340 | 0.82 | CA1 (0.40) | CTSKCTSSATMCA1CA2 |
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-0145875-A2 | Gamma-aminobutyric acid transaminase inhibitors and processes for their preparation | MERRELL DOW PHARMACEUTICALS INC. (US) | 1985-06-26 | — | — | EP | disclosed |