Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 2/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | FERMT2 | Q96AC1 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7206815 | 0.80 | NCF1 (0.54) | NCF1ADRB2ARLOXL2HTR1A | |
| SCHEMBL8679068 | 0.76 | NCF1 (0.48) | NCF1ADRB2ARLOXL2HTR1A | |
| SCHEMBL8986581 | 0.74 | NCF1 (0.42) | NCF1ADRB2ARLOXL2HTR1A | |
| SCHEMBL9472504 | 0.73 | NCF1 (0.51) | NCF1ADRB2ARLOXL2HTR1A | |
| SCHEMBL3649189 | 0.72 | NCF1 (0.73) | NCF1ADRB2KCNH2MAPTKDM4E | |
| SCHEMBL14515644 | 0.72 | NCF1 (0.73) | NCF1ADRB2ARKCNH2MAPT | |
| SCHEMBL15957991 | 0.72 | NCF1 (0.50) | NCF1ADRB2ARLOXL2HTR1A | |
| SCHEMBL26998342 | 0.72 | NCF1 (0.46) | NCF1ADRB2ARLOXL2HTR1A | |
| SCHEMBL6159615 | 0.70 | NCF1 (0.61) | NCF1ADRB2ARLOXL2KCNH2 | |
| SCHEMBL19000048 | 0.70 | NCF1 (0.71) | NCF1ADRB2KCNH2MAPTKDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1120156-C | N,N'-bis (quinolin-4-yl)-diamine derivs, their preparation and their use as antimalarials | HOFFMANN LA ROCHE (CH) | 2003-09-03 | — | — | CN | disclosed |
| EP-0765313-B1 | N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS | HOFFMANN LA ROCHE (CH) | 2003-08-20 | — | — | EP | disclosed |
| EP-0765313-B1 | N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS | HOFFMANN LA ROCHE (CH) | 2003-08-20 | — | — | EP | disclosed |
| US-5736557-A | MICROBIOCIDE EFFECTIVE AGAINST CHLOROQUINE-RESISTANT AND CHLOROQUINE-SENSITIVE STRAINS OF PLASMODIUM FALCIPARUM | HOFFMAN-LA ROCHE, INC. (US) | 1998-04-07 | — | — | US | disclosed |
| US-5736557-A | MICROBIOCIDE EFFECTIVE AGAINST CHLOROQUINE-RESISTANT AND CHLOROQUINE-SENSITIVE STRAINS OF PLASMODIUM FALCIPARUM | HOFFMAN-LA ROCHE, INC. (US) | 1998-04-07 | — | — | US | disclosed |
| CN-1153513-A | N, N' -di (quinolin-4-yl) -diamine derivatives, their preparation and their use as antimalarials | HOFFMANN LA ROCHE (CH) | 1997-07-02 | — | — | CN | disclosed |
| EP-0765313-A1 | N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS | F. HOFFMANN-LA ROCHE AG (CH) | 1997-04-02 | — | — | EP | disclosed |
| WO-1995035287-A1 | N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS | F.HOFFMANN-LA ROCHE AG (CH) | 1995-12-28 | — | — | WO | disclosed |