Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.61 |
| ▸ | TGFBR1 | P36897 | 7/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.47 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.47 |
| ▸ | ABL2 | P42684 | 1/20 | 0.47 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.47 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.47 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6627903 | 0.79 | TGFBR1 (0.67) | TGFBR1MAPK14TGFBR2ABL2CSNK1A1 | |
| SCHEMBL27917128 | 0.78 | CYP1A2 (0.60) | TGFBR1MAPK14TGFBR2ABL2CSNK1A1 | |
| SCHEMBL1227713 | 0.78 | CYP1A2 (0.60) | TGFBR1MAPK14TGFBR2ABL2CSNK1A1 | |
| SCHEMBL29699887 | 0.78 | CYP1A2 (0.60) | TGFBR1MAPK14TGFBR2ABL2CSNK1A1 | |
| SCHEMBL30487734 | 0.76 | CYP1A2 (0.58) | TGFBR1MAPK14TGFBR2ABL2CSNK1A1 | |
| SCHEMBL4391748 | 0.76 | HTR2C (0.44) | HTR2CCSNK1DNPC1RAB9AKDM4E | |
| SCHEMBL8911583 | 0.75 | CYP1A2 (0.46) | HTR2CTGFBR1MAPK14TGFBR2ABL2 | |
| SCHEMBL7918743 | 0.75 | MAPT (0.56) | TGFBR1MAPK14TGFBR2ABL2CSNK1A1 | |
| SCHEMBL3644361 | 0.74 | HTR2C (0.64) | HTR2CTGFBR1NPC1KDM4EALDH1A1 | |
| SCHEMBL14224623 | 0.74 | TGFBR1 (0.56) | HTR2CTGFBR1MAPK14TGFBR2ABL2 |
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 3 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 |
| 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 |