Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 13/20 | 0.74 |
| ▸ | TOP1 | P11387 | 1/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | CRHBP | P24387 | 1/20 | 0.70 |
| ▸ | CASP7 | P55210 | 1/20 | 0.70 |
| ▸ | CASP6 | P55212 | 1/20 | 0.70 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.70 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | RECQL | P46063 | 1/20 | 0.62 |
| ▸ | GALK1 | P51570 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL14170334 | 0.89 | NQO1 (0.73) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL4385323 | 0.86 | NQO1 (1.00) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL28246103 | 0.86 | NQO1 (0.65) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL1649090 | 0.85 | CYP2C9 (0.73) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL12028898 | 0.85 | NQO1 (1.00) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL14170156 | 0.84 | NQO1 (0.82) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL3158084 | 0.84 | CYP2C9 (0.60) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL3174704 | 0.84 | CYP2C9 (0.60) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL3177410 | 0.84 | CYP2C9 (0.60) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL28255107 | 0.84 | NQO1 (0.78) | NQO1TOP1CYP2C9CRHBPCASP7 |
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-108635346-B | 3,3 '-(3,4- dichloro benzylidene)-bis- -4 hydroxy coumarins are used to prepare the application of rabies cytotoxic drug | 中国人民解放军第四军医大学 | 2019-07-23 | — | — | CN | disclosed |
| CN-108635346-A | 3,3 '-(3,4- dichloros benzylidene)-bis- -4 hydroxy coumarins are used to prepare the application of rabies cytotoxic drug | 中国人民解放军第四军医大学 | 2018-10-12 | — | — | CN | disclosed |