Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | KMO | O15229 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | ESRRB | O95718 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESRRA | P11474 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6534406 | 0.91 | NPC1 (0.56) | TP53ADORA1NPC1ESRRBESR1 | |
| SCHEMBL6534274 | 0.85 | MEN1 (0.53) | ADORA1AHRKMOESRRBESR1 | |
| SCHEMBL6534330 | 0.84 | ALDH1A1 (0.60) | TP53ADORA1NPC1ESRRBESR1 | |
| SCHEMBL30592743 | 0.82 | DHODH (0.58) | ADORA1ESRRBESR1ESRRAESR2 | |
| SCHEMBL6534192 | 0.81 | ACACA (0.58) | TP53NPC1MAPTALDH1A1RAB9A | |
| SCHEMBL785473 | 0.81 | ACHE (0.61) | ADORA1ESRRBESR1ESRRAESR2 | |
| SCHEMBL29793367 | 0.81 | ACHE (0.61) | ADORA1ESRRBESR1ESRRAESR2 | |
| SCHEMBL6534578 | 0.81 | KMT2A (0.51) | TP53ADORA1NPC1MAPTALDH1A1 | |
| SCHEMBL20854991 | 0.81 | ADORA1 (0.49) | ADORA1ESRRBESR1ESRRAESR2 | |
| SCHEMBL6534364 | 0.81 | CYP1A1 (0.50) | TP53NPC1ESRRBESR1ESRRA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1181059-C | Quinoline-4-base deviative I | - | 2004-12-22 | — | — | CN | disclosed |
| 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 |
| CN-1290698-A | Quinoline-4-base deviative I | HOFFMANN LA ROCHE (CH) | 2001-04-11 | — | — | CN | disclosed |
| EP-1088818-A1 | Quinolin-4-yl derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-04 | — | — | EP | disclosed |