Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.30 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3377077 | 0.76 | P2RX7 (0.40) | EPHX1GAABTKCTSKKMT2A | |
| SCHEMBL3373789 | 0.75 | P2RX7 (0.42) | EPHX1GAABTKCTSKKMT2A | |
| SCHEMBL3374268 | 0.75 | P2RX7 (0.42) | EPHX1GAABTKCTSKKMT2A | |
| SCHEMBL3377080 | 0.75 | P2RX7 (0.42) | EPHX1GAABTKCTSKKMT2A | |
| SCHEMBL3377787 | 0.75 | P2RX7 (0.42) | EPHX1GAABTKCTSKKMT2A | |
| SCHEMBL3375329 | 0.73 | MEN1 (0.35) | EPHX1BTKCTSKKMT2AMEN1 | |
| SCHEMBL7832081 | 0.73 | P2RX7 (0.41) | EPHX1GAABTKCTSKKMT2A | |
| SCHEMBL3377789 | 0.73 | ALOX15 (0.46) | MAPK1ALDH1A1 | |
| SCHEMBL3375323 | 0.73 | P2RX7 (0.38) | EPHX1GAABTKCTSKKMT2A | |
| SCHEMBL15295683 | 0.72 | CTSK (0.39) | EPHX1GAACTSKKMT2AMEN1 |
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 |