Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | DHODH | Q02127 | 3/20 | 0.43 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.41 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.41 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27742886 | 0.91 | PARP1 (0.47) | PARP1DHODHPKN1PKN2MAPT | |
| SCHEMBL27742877 | 0.90 | DHODH (0.48) | PARP1GRM5DHODHPKN1PKN2 | |
| SCHEMBL27742892 | 0.90 | MMP2 (0.43) | PARP1DHODHPKN1PKN2MAPT | |
| SCHEMBL27742878 | 0.88 | PARP1 (0.48) | PARP1GRM5DHODHDGAT1PKN1 | |
| SCHEMBL27742890 | 0.88 | MAPT (0.49) | PARP1GRM5DHODHDGAT1PKN1 | |
| SCHEMBL27763530 | 0.88 | PARP1 (0.47) | PARP1GRM5DHODHDGAT1PKN1 | |
| SCHEMBL27742871 | 0.85 | DHODH (0.44) | PARP1DHODHPKN1PKN2NR2E3 | |
| SCHEMBL27742876 | 0.84 | PARP1 (0.46) | PARP1DHODHPKN1PKN2HPGD | |
| SCHEMBL27742883 | 0.84 | MMP2 (0.50) | PARP1GRM5DHODHDGAT1PKN1 | |
| SCHEMBL27763516 | 0.83 | RAB9A (0.51) | PARP1GRM5DHODHDGAT1PKN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101434601-A | 2-furyl-1H-benzimidazole-4-acidamide type derivative | UNIV SHANGHAI JIAOTONG (CN) | 2009-05-20 | — | — | CN | disclosed |