Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25827510 | 0.96 | GAA (0.54) | GAATDP1CYP3A4CA1CA2 | |
| SCHEMBL15728746 | 0.91 | CTSK (0.50) | GAATDP1CA1CA2CA12 | |
| SCHEMBL25095054 | 0.90 | TDP1 (0.58) | GAATDP1CYP3A4CA1CA2 | |
| SCHEMBL8032622 | 0.89 | GAA (0.69) | GAATDP1CYP3A4CA1CA2 | |
| SCHEMBL5653695 | 0.88 | TDP1 (0.61) | GAATDP1CYP3A4CA1CA2 | |
| SCHEMBL7158127 | 0.88 | TDP1 (0.61) | GAATDP1CYP3A4CA1CA2 | |
| SCHEMBL29256392 | 0.88 | TDP1 (0.61) | GAATDP1CYP3A4CA1CA2 | |
| SCHEMBL1784924 | 0.88 | CTSK (0.51) | GAATDP1CA1CA2CA12 | |
| SCHEMBL7405019 | 0.86 | GAA (0.64) | GAATDP1CYP3A4CA1CA2 | |
| SCHEMBL23782441 | 0.86 | MAOA (0.55) | GAATDP1CYP3A4CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5250517-A | Hypotensive and cardiotonic agents; cardiac insufficiency | HOFFMANN-LA ROCHE INC. (US) | 1993-10-05 | — | — | US | disclosed |