Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.45 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TOP1 | P11387 | 2/20 | 0.42 |
| ▸ | ESRRB | O95718 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESRRA | P11474 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL785473 | 0.81 | ACHE (0.61) | ACHEESRRBESR1ESRRAESR2 | |
| SCHEMBL29793367 | 0.81 | ACHE (0.61) | ACHEESRRBESR1ESRRAESR2 | |
| SCHEMBL4150276 | 0.81 | ACHE (0.68) | TACR3PDGFRBPDGFRACYP2E1CYP2A6 | |
| SCHEMBL10608842 | 0.81 | TACR3 (0.49) | TACR3PDGFRBPDGFRACYP2E1CYP2A6 | |
| SCHEMBL6001658 | 0.79 | MAPK1 (0.59) | ACHENPC1ESRRBESR1ESRRA | |
| SCHEMBL30592743 | 0.78 | DHODH (0.58) | ACHEESRRBESR1ESRRAESR2 | |
| SCHEMBL13957916 | 0.78 | KDM4E (0.70) | TACR3NPC1LMNASMN1; SMN2KDM4E | |
| SCHEMBL6534331 | 0.77 | NPC1 (0.54) | ACHENPC1ESRRBESR1ESRRA | |
| SCHEMBL6534274 | 0.76 | MEN1 (0.53) | ACHEESRRBESR1ESRRAESR2 | |
| SCHEMBL4090905 | 0.75 | ACP1 (0.46) | ACHETOP1ESRRBESR1ESRRA |
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 |