Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.37 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.37 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.37 |
| ▸ | ABAT | P80404 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24710 | 0.84 | ALDH1A1 (0.35) | ALDH1A1TSHRHPGDMEN1GAA | |
| SCHEMBL22727903 | 0.83 | ALDH1A1 (0.42) | ALDH1A1TSHRHPGDMEN1GAA | |
| SCHEMBL23884 | 0.80 | ALDH1A1 (0.36) | ALDH1A1MEN1GAAMAPTKMT2A | |
| SCHEMBL23883 | 0.80 | ALDH1A1 (0.36) | ALDH1A1MEN1GAAMAPTKMT2A | |
| SCHEMBL25367772 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TSHRHPGDMEN1GAA | |
| SCHEMBL13390906 | 0.75 | ALDH1A1 (0.38) | ALDH1A1HPGDMEN1GAAMAPT | |
| SCHEMBL8255368 | 0.75 | ALDH1A1 (0.38) | ALDH1A1HPGDMEN1GAAMAPT | |
| SCHEMBL33126 | 0.75 | PGR (0.40) | ALDH1A1HPGDMEN1GAAMAPT | |
| SCHEMBL22547324 | 0.75 | SRD5A1 (0.46) | IDO1SRD5A1 | |
| SCHEMBL25694 | 0.75 | SLC6A4 (0.47) | IDO1SRD5A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012026403-A1 | CONDENSED RING COMPOUND | 日本曹達株式会社 (JP) | 2012-03-01 | — | — | WO | disclosed |