Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30274610 | 0.93 | ACHE (0.46) | CYP3A4TDP1NFE2L2ESR2ACHE | |
| SCHEMBL1452106 | 0.93 | ACHE (0.46) | CYP3A4TDP1NFE2L2ESR2ACHE | |
| Hydrochloric Acid SCHEMBL19712088 | 0.88 | ACHE (0.42) | CYP3A4TDP1NFE2L2ESR2ACHE | |
| SCHEMBL8675804 | 0.86 | ACHE (0.41) | CYP3A4TDP1NFE2L2ESR2ACHE | |
| SCHEMBL19712090 | 0.84 | ACHE (0.39) | CYP3A4TDP1NFE2L2ESR2ACHE | |
| SCHEMBL28382949 | 0.84 | ACHE (0.39) | CYP3A4TDP1NFE2L2ESR2ACHE | |
| SCHEMBL10551850 | 0.83 | PSEN1 (0.38) | CYP3A4TDP1NFE2L2ESR1ESR2 | |
| SCHEMBL5972931 | 0.82 | TRPA1 (0.45) | CYP3A4TDP1IDO1KDM1A | |
| Fluorobenzene SCHEMBL31448043 | 0.82 | CYP3A4 (0.67) | CYP3A4TDP1NFE2L2ESR1ESR2 | |
| SCHEMBL15698273 | 0.82 | TDP1 (0.75) | CYP3A4TDP1ESR1ESR2KDM4E |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110079867-A | On-DNA Wittig reaction method and On-DNA olefin(e) compound obtained in DNA encoding compound library | 上海药明康德新药开发有限公司 | 2019-08-02 | — | — | CN | claimed |
| CN-110041390-A | The synthetic method of the 1,2,3- 3-triazole compounds of On-DNA in DNA encoding compound library | 上海药明康德新药开发有限公司 | 2019-07-23 | — | — | CN | claimed |
| CN-110079867-B | On-DNA wittig reaction method in DNA coding compound library and prepared On-DNA olefin compound | 上海药明康德新药开发有限公司 | 2022-01-04 | — | — | CN | disclosed |
| CN-110359097-A | The method that On-DNA aromatic compound is obtained by Suzuki coupling reaction in the building of DNA encoding compound library | 上海药明康德新药开发有限公司 | 2019-10-22 | — | — | CN | disclosed |
| CN-110331447-A | The method of On-DNA aryl acetylene hydrocarbon compound is prepared in the building of DNA encoding compound library | 上海药明康德新药开发有限公司 | 2019-10-15 | — | — | CN | disclosed |
| CN-110079867-A | On-DNA Wittig reaction method and On-DNA olefin(e) compound obtained in DNA encoding compound library | 上海药明康德新药开发有限公司 | 2019-08-02 | — | — | CN | disclosed |
| CN-110041390-A | The synthetic method of the 1,2,3- 3-triazole compounds of On-DNA in DNA encoding compound library | 上海药明康德新药开发有限公司 | 2019-07-23 | — | — | CN | disclosed |
| EP-0690065-B1 | Halogenated biphenyl-2,2'-diyl-bis-diphenylphosphines, their preparation and use | HOECHST AG (DE) | 2002-10-02 | — | — | EP | disclosed |
| US-5621128-A | ENANTIOSELECTIVE CATALYSTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-04-15 | — | — | US | disclosed |
| EP-0690065-A1 | Halogenated biphenyl-2,2'-diyl-bis-diphenylphosphines, their preparation and use | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-01-03 | — | — | EP | disclosed |