Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 5/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PPIA | P62937 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SMO | Q99835 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3373789 | 1.00 | P2RX7 (0.42) | P2RX7EPHX1CTSKGAACTSL | |
| SCHEMBL3377080 | 1.00 | P2RX7 (0.42) | P2RX7EPHX1CTSKGAACTSL | |
| SCHEMBL3374268 | 1.00 | P2RX7 (0.42) | P2RX7EPHX1CTSKGAACTSL | |
| SCHEMBL7832081 | 0.98 | P2RX7 (0.41) | P2RX7EPHX1CTSKGAACTSL | |
| SCHEMBL3377077 | 0.98 | P2RX7 (0.40) | P2RX7EPHX1CTSKGAACTSL | |
| SCHEMBL3375323 | 0.95 | P2RX7 (0.38) | P2RX7EPHX1CTSKGAACTSL | |
| SCHEMBL15295683 | 0.92 | CTSK (0.39) | P2RX7EPHX1CTSKGAACTSL | |
| SCHEMBL7279905 | 0.85 | P2RX7 (0.40) | P2RX7EPHX1CTSKGAACTSL | |
| SCHEMBL3372646 | 0.85 | CTSK (0.35) | P2RX7EPHX1CTSKGAACTSL | |
| SCHEMBL3398195 | 0.83 | HPGD (0.39) | EPHX1MEN1KMT2APPIA |
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-2012000608-A2 | NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES | GLUESENKAMP KARL-HEINZ (DE) | 2012-01-05 | — | — | WO | disclosed |