Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.35 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4228999 | 1.00 | SMN1; SMN2 (0.38) | SMN1; SMN2RAB9ANPC1HSP90AA1PKM | |
| SCHEMBL1081773 | 0.87 | ALDH1A1 (0.42) | ESR1NR1H4CYP3A4LMNAHTT | |
| SCHEMBL1006832 | 0.87 | ALDH1A1 (0.42) | ESR1NR1H4CYP3A4LMNAHTT | |
| SCHEMBL1006833 | 0.87 | ALDH1A1 (0.42) | ESR1NR1H4CYP3A4LMNAHTT | |
| SCHEMBL13845311 | 0.78 | ESR1 (0.45) | ESR1NR1H4GABBR2GABBR1CYP3A4 | |
| SCHEMBL4054983 | 0.78 | ESR1 (0.45) | ESR1NR1H4GABBR2GABBR1CYP3A4 | |
| SCHEMBL4054986 | 0.78 | ESR1 (0.45) | ESR1NR1H4GABBR2GABBR1CYP3A4 | |
| SCHEMBL13658710 | 0.77 | TDP1 (0.50) | SMN1; SMN2RAB9ANPC1HSP90AA1PKM | |
| SCHEMBL4055672 | 0.75 | CA12 (0.53) | RAB9ANPC1ESR1NR1H4LMNA | |
| SCHEMBL13845314 | 0.75 | CA12 (0.53) | RAB9ANPC1ESR1NR1H4LMNA |
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-2074092-A2 | INHIBITORS OF D-AMINO ACID OXIDASE | Sepracor Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008089453-A2 | INHIBITORS OF D-AMINO ACID OXIDASE | SEPRACOR INC. (US) | 2008-07-24 | — | — | WO | disclosed |