Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | AGXT | P21549 | 2/20 | 0.48 |
| ▸ | MIF | P14174 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11817127 | 0.84 | SLC11A2 (0.46) | TAAR1RAB9ANPC1IDO1ALDH1A1 | |
| SCHEMBL30452290 | 0.82 | TAAR1 (0.54) | TAAR1RAB9ANPC1IDO1AGXT | |
| SCHEMBL576677 | 0.82 | RAB9A (0.54) | TAAR1RAB9ANPC1IDO1AGXT | |
| SCHEMBL29723380 | 0.82 | RAB9A (0.54) | TAAR1RAB9ANPC1IDO1AGXT | |
| SCHEMBL576330 | 0.82 | TAAR1 (0.54) | TAAR1RAB9ANPC1IDO1AGXT | |
| SCHEMBL29902380 | 0.78 | TAAR1 (0.50) | TAAR1RAB9ANPC1IDO1AGXT | |
| SCHEMBL777268 | 0.78 | TAAR1 (0.50) | TAAR1RAB9ANPC1IDO1AGXT | |
| SCHEMBL2701943 | 0.78 | TAAR1 (0.50) | TAAR1RAB9ANPC1IDO1AGXT | |
| SCHEMBL30753694 | 0.78 | TP53 (0.56) | TAAR1RAB9ANPC1IDO1AGXT | |
| SCHEMBL27748601 | 0.77 | IDO1 (0.52) | TAAR1RAB9ANPC1IDO1AGXT |
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-2178858-B1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LTD (IE) | 2011-12-28 | — | — | EP | disclosed |
| WO-2009015897-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2009-02-05 | — | — | WO | disclosed |