Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 3/20 | 0.46 |
| ▸ | ADH1A | P07327 | 3/20 | 0.46 |
| ▸ | ADH7 | P40394 | 3/20 | 0.46 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ADH1C | P00326 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | ADH4 | P08319 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Butane SCHEMBL27882895 | 0.81 | — | — | |
| Formic Acid Methyl Ester SCHEMBL28432367 | 0.79 | TSHR (0.62) | ADH1BADH1AADH7ALDH1A1TSHR | |
| Formic Acid Methyl Ester SCHEMBL27748266 | 0.77 | — | — | |
| SCHEMBL17626634 | 0.77 | TSHR (0.53) | ADH1BADH1AADH7PAOXALDH1A1 | |
| SCHEMBL15445 | 0.77 | — | — | |
| SCHEMBL6196103 | 0.76 | — | — | |
| Hexane SCHEMBL2754293 | 0.75 | TSHR (0.48) | ADH1BADH1AADH7ALDH1A1TSHR | |
| Pentane SCHEMBL8157918 | 0.75 | — | — | |
| Formic Acid SCHEMBL3541955 | 0.75 | ADH1B (0.50) | ADH1BADH1AADH7PAOXALDH1A1 | |
| Formic Acid Methyl Ester SCHEMBL28252004 | 0.74 | — | — |
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-4958026-A | HYPOTENSIVE AGENTS | SCHERING AKTIENGESLLSCHAFT (DE) | 1990-09-18 | — | — | US | disclosed |