Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 1/20 | 0.70 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | TOP1 | P11387 | 2/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.38 |
| ▸ | TRPV3 | Q8NET8 | 3/20 | 0.38 |
| ▸ | COMT | P21964 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6853433 | 0.83 | CDC7 (1.00) | CDC7ESR1ESR2NPC1RAB9A | |
| SCHEMBL22321627 | 0.71 | KIF11 (0.47) | KIF11TRPV3COMTKDM4ENPC1 | |
| SCHEMBL20223126 | 0.70 | TDO2 (0.45) | IDO1TDO2TRPV3PARP1NPC1 | |
| SCHEMBL29893009 | 0.69 | P2RY14 (0.57) | SLC6A2P2RY14 | |
| SCHEMBL22734790 | 0.68 | NPC1 (0.62) | KIF11TOP1TRPV1KDM4ENPC1 | |
| SCHEMBL29544777 | 0.68 | NPC1 (0.62) | KIF11TOP1TRPV1KDM4ENPC1 | |
| SCHEMBL6859602 | 0.67 | NPC1 (0.61) | KIF11TOP1KDM4ENPC1ALDH1A1 | |
| SCHEMBL29106060 | 0.67 | P2RY14 (0.46) | KIF11SLC6A2P2RY14POLB | |
| SCHEMBL1765328 | 0.66 | KIF11 (0.59) | IDO1TDO2KIF11TRPV1COMT | |
| SCHEMBL14251496 | 0.65 | CDC7 (0.54) | CDC7IDO1ESR1ESR2KDM4E |
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-106146491-A | 5-hydroxyl-1,7-naphthyridine compounds, its preparation method and the pharmaceutical applications thereof being optionally substituted aryl or heteroaryl | 沈阳三生制药有限责任公司 | 2016-11-23 | — | — | CN | disclosed |