Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CHKA | P35790 | 1/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.50 |
| ▸ | NCF1 | P14598 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6163063 | 0.99 | PKM (0.51) | PKMALOX15CASP1HSD17B10CHKA | |
| SCHEMBL6159615 | 0.85 | NCF1 (0.61) | PKMALOX15CASP1HSD17B10ADRB2 | |
| Hydrochloric Acid SCHEMBL6159074 | 0.84 | NCF1 (0.59) | PKMALOX15CASP1HSD17B10ADRB2 | |
| Hydrochloric Acid SCHEMBL6159806 | 0.76 | PKM (0.61) | PKMALOX15CASP1HSD17B10CHKA | |
| SCHEMBL6159581 | 0.75 | NUDT1 (0.63) | ADRB2NCF1CHRM1KCNH2 | |
| Hydrochloric Acid SCHEMBL6162260 | 0.74 | NUDT1 (0.61) | ADRB2NCF1CHRM1KCNH2 | |
| SCHEMBL13891514 | 0.71 | PKM (0.88) | PKMALOX15CASP1HSD17B10CHKA | |
| SCHEMBL3649189 | 0.71 | NCF1 (0.73) | PKMALOX15CASP1HSD17B10CHKA | |
| SCHEMBL14515644 | 0.71 | NCF1 (0.73) | PKMALOX15CASP1HSD17B10CHKA | |
| SCHEMBL10268352 | 0.70 | NCF1 (0.67) | ADRB2NCF1NPC1KMT2AKCNH2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1090917-B1 | Quinolin-4-yl derivatives and their use as NMDA-receptor subtype blockers | HOFFMANN LA ROCHE (CH) | 2005-12-21 | — | — | EP | claimed |
| CN-1162424-C | Quinoline-4-radical derivative II | - | 2004-08-18 | — | — | CN | claimed |
| US-6339093-B1 | Isoquinoline derivatives | HOFFMANN-LA ROCHE INC. | 2002-01-15 | — | — | US | claimed |
| CN-1304936-A | Quinoline-4-radical derivative II | HOFFMANN LA BOCHE & CO AG F (CH) | 2001-07-25 | — | — | CN | claimed |
| EP-1090917-A1 | Quinolin-4-yl derivatives and their use as NMDA-receptor subtype blockers | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-11 | — | — | EP | claimed |
| EP-1090917-B1 | Quinolin-4-yl derivatives and their use as NMDA-receptor subtype blockers | HOFFMANN LA ROCHE (CH) | 2005-12-21 | — | — | EP | disclosed |
| CN-1162424-C | Quinoline-4-radical derivative II | - | 2004-08-18 | — | — | CN | disclosed |
| US-6339093-B1 | Isoquinoline derivatives | HOFFMANN-LA ROCHE INC. | 2002-01-15 | — | — | US | disclosed |
| CN-1304936-A | Quinoline-4-radical derivative II | HOFFMANN LA BOCHE & CO AG F (CH) | 2001-07-25 | — | — | CN | disclosed |
| EP-1090917-A1 | Quinolin-4-yl derivatives and their use as NMDA-receptor subtype blockers | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-11 | — | — | EP | disclosed |