Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | DPP4 | P27487 | 2/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28598543 | 0.94 | CYP1A2 (0.52) | CYP1A2CA1CA2CA4DPP4 | |
| SCHEMBL8675580 | 0.92 | CYP1A2 (0.52) | CYP1A2CA1CA2CA4DPP4 | |
| SCHEMBL28485961 | 0.92 | CYP1A2 (0.50) | CYP1A2CA1CA2CA4DPP4 | |
| SCHEMBL19339159 | 0.90 | CYP1A2 (0.50) | CYP1A2CA1CA2CA4DPP4 | |
| SCHEMBL29904852 | 0.89 | EPHX1 (0.48) | CYP1A2CA1CA2CA4DPP4 | |
| SCHEMBL28918175 | 0.89 | CA1 (0.50) | CYP1A2CA1CA2CA4DPP4 | |
| SCHEMBL29904850 | 0.89 | EPHX1 (0.48) | CYP1A2CA1CA2CA4DPP4 | |
| SCHEMBL28358906 | 0.89 | EPHX1 (0.48) | CYP1A2CA1CA2CA4DPP4 | |
| SCHEMBL4004983 | 0.89 | EPHX1 (0.48) | CYP1A2CA1CA2CA4DPP4 | |
| SCHEMBL29455101 | 0.89 | EPHX1 (0.48) | CYP1A2CA1CA2CA4DPP4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107417523-B | Preparation method of cyclohexane-1, 2-diformate plasticizer | 河南应用技术职业学院 | 2020-12-22 | — | — | CN | claimed |
| CN-111094513-B | Derivatives of dibenzofuran and dibenzothiophene | 默克专利股份有限公司 | 2023-11-03 | — | — | CN | disclosed |
| CN-110628025-B | Polyimide precursor, polyimide, and material for use in production thereof | 宇部兴产株式会社 | 2022-07-12 | — | — | CN | disclosed |
| CN-109563324-A | Heterophasic propylene polymeric material | 住友化学株式会社 | 2019-04-02 | — | — | CN | disclosed |