Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | ACP1 | P24666 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20854991 | 0.87 | ADORA1 (0.49) | KMT2AMEN1ADORA1ALDH1A1KDM4E | |
| SCHEMBL29793367 | 0.85 | ACHE (0.61) | KMT2AMEN1ADORA1ALDH1A1MAPK1 | |
| SCHEMBL785473 | 0.85 | ACHE (0.61) | KMT2AMEN1ADORA1ALDH1A1MAPK1 | |
| SCHEMBL6534330 | 0.84 | ALDH1A1 (0.60) | KMT2AMEN1NPC1RAB9AADORA1 | |
| SCHEMBL20809291 | 0.84 | ALDH1A1 (0.63) | KMT2AMEN1NPC1RAB9ANR1I3 | |
| SCHEMBL12453666 | 0.84 | ACACA (0.60) | KMT2AMEN1NPC1RAB9ANR1I3 | |
| SCHEMBL6534520 | 0.83 | ADORA1 (0.59) | KMT2AMEN1ADORA1ALDH1A1MAPK1 | |
| SCHEMBL30592743 | 0.82 | DHODH (0.58) | KMT2AMEN1ADORA1ALDH1A1KDM4E | |
| SCHEMBL6534253 | 0.81 | TP53 (0.47) | KMT2AMEN1NPC1RAB9AADORA1 | |
| SCHEMBL6534406 | 0.81 | NPC1 (0.56) | KMT2AMEN1NPC1RAB9AADORA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1088818-B1 | Quinolin-4-yl derivatives | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |
| US-6440995-B1 | NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS | HOFFMAN-LA ROCHE INC. | 2002-08-27 | — | — | US | disclosed |
| EP-1088818-A1 | Quinolin-4-yl derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-04 | — | — | EP | disclosed |