Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10994257 | 0.90 | ALDH1A1 (0.39) | ALDH1A1CYP2D6KMT2A | |
| SCHEMBL10995105 | 0.88 | CYP2D6 (0.35) | FFAR1CA2ALDH1A1CYP2D6ALOX15 | |
| SCHEMBL7437018 | 0.86 | TSHR (0.32) | FFAR1CA2ALDH1A1RAB9A | |
| SCHEMBL10995041 | 0.85 | ALDH1A1 (0.36) | ALDH1A1CYP2D6MEN1KMT2A | |
| SCHEMBL10994839 | 0.84 | FFAR1 (0.35) | FFAR1CA2ALDH1A1 | |
| SCHEMBL10991901 | 0.83 | LMNA (0.42) | ALDH1A1CYP2D6RAB9AKMT2A | |
| SCHEMBL10994657 | 0.83 | TEAD1 (0.42) | FFAR1CYP2D6 | |
| SCHEMBL10996837 | 0.82 | CA2 (0.38) | FFAR1CA2ALDH1A1CYP2D6ALOX15 | |
| SCHEMBL11000004 | 0.81 | ALDH1A1 (0.38) | ALDH1A1CYP2D6KMT2A | |
| SCHEMBL10997577 | 0.81 | LMNA (0.44) | ALDH1A1MEN1RAB9AKMT2A |
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-4558129-A | Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade | SYNTEX (U.S.A.) INC. (US) | 1985-12-10 | — | — | US | disclosed |