Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | BAX | Q07812 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL10996604 | 0.88 | SIGMAR1 (0.35) | SMN1; SMN2BAXTP53CYP3A4MAPT | |
| SCHEMBL10989799 | 0.87 | IDO1 (0.34) | SMN1; SMN2IDO1BAXALDH1A1TP53 | |
| SCHEMBL10995194 | 0.82 | ALDH1A1 (0.44) | SMN1; SMN2LMNAALDH1A1MAPTRAD52 | |
| SCHEMBL10991101 | 0.82 | SLC6A2 (0.37) | BAXTP53CYP3A4MAPTALOX15 | |
| SCHEMBL10992659 | 0.82 | SLC6A2 (0.37) | — | |
| SCHEMBL10990462 | 0.82 | BAX (0.46) | LMNABAXALDH1A1TP53CYP3A4 | |
| SCHEMBL10992228 | 0.82 | SLC6A2 (0.40) | LMNAALDH1A1MAPTALOX15HRH3 | |
| SCHEMBL10994809 | 0.82 | ITGB2 (0.32) | SMN1; SMN2IDO1LMNABAXALDH1A1 | |
| SCHEMBL10992132 | 0.80 | BACE1 (0.32) | SMN1; SMN2IDO1BAXALDH1A1TP53 | |
| SCHEMBL10994694 | 0.80 | AKR1B1 (0.36) | LMNAALDH1A1TP53 |
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 |