Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15467802 | 0.94 | ACHE (0.55) | ACHETDP1CYP3A4TSHRTEAD4 | |
| SCHEMBL686365 | 0.87 | ACHE (0.61) | ACHETDP1CYP3A4TSHRTEAD4 | |
| SCHEMBL14224220 | 0.79 | ACHE (0.60) | ACHETDP1CYP3A4TSHRTEAD4 | |
| SCHEMBL12863492 | 0.77 | ACHE (0.50) | ACHETDP1CYP3A4TSHRTEAD4 | |
| SCHEMBL10522933 | 0.77 | ACHE (0.53) | ACHETDP1CYP3A4TSHRTEAD4 | |
| SCHEMBL10530254 | 0.77 | ACHE (0.50) | ACHETDP1CYP3A4TSHRTEAD4 | |
| SCHEMBL7534892 | 0.75 | CA1 (0.69) | ACHETDP1CYP3A4ALDH1A1MAPT | |
| SCHEMBL8084953 | 0.75 | ACHE (0.48) | ACHETDP1CYP3A4TSHRTEAD4 | |
| SCHEMBL11580657 | 0.75 | ACHE (0.48) | ACHETDP1CYP3A4TSHRTEAD4 | |
| SCHEMBL15956243 | 0.75 | ACHE (0.68) | ACHETDP1CYP3A4TSHRTEAD4 |
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-114213440-B | 2-boron alkenyl oxygen ether compound and preparation method thereof | 盐城工学院 | 2024-04-02 | — | — | CN | disclosed |
| CN-110475783-B | Cationic ruthenium complex, preparation method and application thereof | 高砂香料工业株式会社 | 2022-10-21 | — | — | CN | disclosed |
| CN-114213440-A | 2-boron-based alkenyl oxygen ether compound and preparation method thereof | 盐城工学院 | 2022-03-22 | — | — | CN | disclosed |
| WO-1993013067-A1 | 4-SUBSTITUTED PIPERIDINECARBOXYLIC ACID ESTERS: INHIBITION OF CHOLESTEROL ABSORPTION | AMERICAN HOME PRODUCTS CORPORATION (US) | 1993-07-08 | — | — | WO | disclosed |