Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3317518 | 0.84 | HTT (0.45) | HTTALDH1A1MAP4K4KMT2AMEN1 | |
| SCHEMBL13583086 | 0.80 | MEN1 (0.34) | HTTALDH1A1MAP4K4KMT2AMEN1 | |
| SCHEMBL8560759 | 0.79 | HTT (0.43) | HTTALDH1A1MAP4K4KMT2AMEN1 | |
| SCHEMBL3316531 | 0.78 | ALDH1A1 (0.40) | HTTALDH1A1KMT2AMEN1HPGD | |
| SCHEMBL199906 | 0.78 | HTT (0.58) | HTTALDH1A1MAP4K4BCAT2KMT2A | |
| SCHEMBL31595897 | 0.78 | HTT (0.58) | HTTALDH1A1MAP4K4BCAT2KMT2A | |
| Hydrochloric Acid SCHEMBL27672403 | 0.77 | HTT (0.56) | HTTALDH1A1MAP4K4BCAT2KMT2A | |
| SCHEMBL28342438 | 0.77 | HTT (0.56) | HTTALDH1A1MAP4K4BCAT2KMT2A | |
| SCHEMBL3312917 | 0.76 | KDM4E (0.33) | HTTALDH1A1MAP4K4KDM4ELMNA | |
| SCHEMBL194114 | 0.75 | MTNR1A (0.34) | ALDH1A1KMT2AHPGDKDM4ETDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1501801-B1 | 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES | UCB PHARMA SA (BE) | 2008-01-23 | — | — | EP | claimed |