Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | UGCG | Q16739 | 5/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL10994809 | 0.86 | ITGB2 (0.32) | ALDH1A1LMNA | |
| SCHEMBL7437379 | 0.81 | MAOA (0.35) | ALDH1A1KDM4ENPC1RAB9ATHRB | |
| SCHEMBL7434523 | 0.81 | GNAI3 (0.31) | HTR1AOPRM1 | |
| SCHEMBL10993141 | 0.80 | KMT2A (0.39) | RAB9ATHRB | |
| SCHEMBL10989799 | 0.80 | IDO1 (0.34) | ALDH1A1 | |
| SCHEMBL10996527 | 0.79 | BAX (0.30) | — | |
| SCHEMBL10994835 | 0.79 | TSHR (0.33) | ALDH1A1 | |
| SCHEMBL10992490 | 0.79 | CYP3A4 (0.41) | ALDH1A1LMNA | |
| SCHEMBL10992487 | 0.79 | ALDH1A1 (0.32) | ALDH1A1THRB | |
| SCHEMBL10991101 | 0.78 | SLC6A2 (0.37) | — |
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 |