Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | AGXT | P21549 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL726130 | 1.00 | TSHR (0.52) | TSHRIDO1AGXTALDH1A1SLC6A2 | |
| SCHEMBL4421702 | 0.93 | TSHR (0.46) | TSHRIDO1AGXTALDH1A1SLC6A2 | |
| SCHEMBL3855220 | 0.93 | TSHR (0.46) | TSHRIDO1AGXTALDH1A1SLC6A2 | |
| SCHEMBL3325624 | 0.91 | TSHR (0.44) | TSHRIDO1AGXTALDH1A1SLC6A2 | |
| SCHEMBL648537 | 0.87 | AGXT (0.39) | TSHRIDO1AGXT | |
| SCHEMBL10819593 | 0.87 | IDO1 (0.55) | IDO1AGXTTAAR1 | |
| SCHEMBL11625744 | 0.85 | TSHR (0.52) | TSHRIDO1AGXTALDH1A1SLC6A2 | |
| SCHEMBL10940340 | 0.85 | TSHR (0.52) | TSHRIDO1AGXTALDH1A1SLC6A2 | |
| SCHEMBL12882981 | 0.85 | TSHR (0.43) | TSHRIDO1AGXTALDH1A1SLC6A2 | |
| SCHEMBL3832968 | 0.84 | TSHR (0.39) | TSHRIDO1AGXTALDH1A1SLC6A2 |
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-7420078-B2 | Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3,5-dihydroxy heptanoic acid derivatives, and intermediates thereof | CIBA SPECIALTY CHEMICALS CORP. (US) | 2008-09-02 | — | — | US | disclosed |