Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ADH1B | P00325 | 1/20 | 0.39 |
| ▸ | ADH1C | P00326 | 1/20 | 0.39 |
| ▸ | ADH1A | P07327 | 1/20 | 0.39 |
| ▸ | ADH7 | P40394 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3394710 | 0.84 | MEN1 (0.42) | ALDH1A1TSHRKMT2AMEN1DHFR | |
| SCHEMBL5671691 | 0.82 | MEN1 (0.39) | ALDH1A1TSHRKMT2AMEN1DHFR | |
| SCHEMBL4381658 | 0.79 | DHFR (0.45) | ALDH1A1TSHRKMT2AMEN1DHFR | |
| SCHEMBL3500438 | 0.79 | TNK2 (0.44) | ALDH1A1KMT2AMEN1DHFRTNK2 | |
| SCHEMBL7264789 | 0.77 | HRH3 (0.50) | ALDH1A1KMT2AMEN1DHFR | |
| SCHEMBL4996560 | 0.77 | MEN1 (0.40) | ALDH1A1TSHRKMT2AMEN1DHFR | |
| SCHEMBL5702480 | 0.77 | DDB1 (0.41) | KMT2AMEN1DHFRTNK2 | |
| SCHEMBL862862 | 0.77 | MEN1 (0.43) | ALDH1A1TSHRKMT2AMEN1DHFR | |
| SCHEMBL883393 | 0.77 | DHFR (0.41) | ALDH1A1TSHRKMT2AMEN1DHFR | |
| SCHEMBL863095 | 0.77 | ALDH1A1 (0.58) | ALDH1A1KMT2AMEN1DHFRTNK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773797-A2 | AROMATIC COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006014012-A2 | AROMATIC COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-02-09 | — | — | WO | disclosed |