Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TGFBR1 | P36897 | 4/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | BMP4 | P12644 | 2/20 | 0.44 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.43 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.43 |
| ▸ | ABL2 | P42684 | 1/20 | 0.43 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.43 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.43 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27917128 | 0.82 | CYP1A2 (0.60) | CYP1A2TGFBR1MAPK14RAB9ANPC1 | |
| SCHEMBL29699887 | 0.82 | CYP1A2 (0.60) | CYP1A2TGFBR1MAPK14RAB9ANPC1 | |
| SCHEMBL1227713 | 0.82 | CYP1A2 (0.60) | CYP1A2TGFBR1MAPK14RAB9ANPC1 | |
| SCHEMBL30487734 | 0.80 | CYP1A2 (0.58) | CYP1A2TGFBR1MAPK14RAB9ANPC1 | |
| SCHEMBL8911588 | 0.79 | CYP1A2 (0.53) | CYP1A2TGFBR1MAPK14RAB9ANPC1 | |
| SCHEMBL10481631 | 0.76 | MAPK11 (0.44) | TGFBR1MAPK14RAB9ANPC1ALDH1A1 | |
| SCHEMBL4499365 | 0.76 | CYP1A2 (0.54) | CYP1A2TGFBR1MAPK14RAB9ANPC1 | |
| SCHEMBL8719155 | 0.75 | HTR2C (0.61) | CYP1A2TGFBR1MAPK14RAB9ANPC1 | |
| SCHEMBL7918743 | 0.75 | MAPT (0.56) | CYP1A2TGFBR1MAPK14RAB9ANPC1 | |
| SCHEMBL20873070 | 0.73 | CYP1A2 (0.56) | CYP1A2TGFBR1MAPK14RAB9ANPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |