Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACA | Q13085 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | DHODH | Q02127 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 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 | |
|---|---|---|---|---|
| SCHEMBL6534368 | 0.89 | ACACA (0.60) | ACACAKDM4EMAPTHPGDLMNA | |
| SCHEMBL6534406 | 0.84 | NPC1 (0.56) | KDM4EMAPTHPGDLMNASMN1; SMN2 | |
| SCHEMBL6534253 | 0.81 | TP53 (0.47) | ACACAKDM4EMAPTHPGDLMNA | |
| SCHEMBL6534318 | 0.80 | MAPT (0.71) | ACACAKDM4EMAPTHPGDLMNA | |
| SCHEMBL29636789 | 0.80 | MAPT (0.71) | ACACAKDM4EMAPTHPGDLMNA | |
| SCHEMBL6534330 | 0.78 | ALDH1A1 (0.60) | KDM4EMAPTHPGDLMNASMN1; SMN2 | |
| SCHEMBL3909868 | 0.77 | HSP90AA1 (0.55) | ACACAKDM4EMAPTHPGDLMNA | |
| SCHEMBL6534274 | 0.76 | MEN1 (0.53) | ACACAMAPTHTTDHODHKMT2A | |
| SCHEMBL30592743 | 0.76 | DHODH (0.58) | ACACAKDM4EMAPTHPGDLMNA | |
| SCHEMBL21290389 | 0.76 | ACACA (0.78) | ACACAKDM4EMAPTHPGDLMNA |
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 |