Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | FLT1 | P17948 | 1/20 | 0.44 |
| ▸ | FLT4 | P35916 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.42 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12832618 | 0.83 | NPC1 (0.47) | KDM4EHSD17B10ALDH1A1POLBFLT1 | |
| SCHEMBL27779426 | 0.81 | KIF11 (0.47) | KDM4EFLT1FLT4KDRKCNH2 | |
| SCHEMBL17207300 | 0.80 | KDR (0.56) | KDM4EHSD17B10ALDH1A1POLBFLT1 | |
| SCHEMBL12277727 | 0.80 | CNR2 (0.45) | KDM4EHSD17B10ALDH1A1POLBFLT1 | |
| SCHEMBL27509230 | 0.79 | KDR (0.49) | KDM4EHSD17B10ALDH1A1POLBFLT1 | |
| SCHEMBL1719817 | 0.78 | HTR2B (0.44) | KDM4EHSD17B10ALDH1A1POLBFLT1 | |
| SCHEMBL27779432 | 0.77 | DYRK1A (0.49) | DYRK1ANPY5RKCNH2 | |
| SCHEMBL18419722 | 0.75 | ESR1 (0.46) | KDM4EALDH1A1FLT1FLT4KDR | |
| SCHEMBL29678302 | 0.72 | TSHR (0.58) | ALDH1A1SCN2ANOTUMIDO1 | |
| SCHEMBL1263144 | 0.72 | TSHR (0.58) | ALDH1A1SCN2ANOTUMIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101687844-B | Imidazole derivatives as CCR2 receptor antagonists | HOFFMANN LA ROCHE | 2013-11-13 | — | — | CN | disclosed |
| CN-101687844-A | Imidazole derivatives as CCR2 receptor antagonists | HOFFMANN LA ROCHE | 2010-03-31 | — | — | CN | disclosed |