Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.50 |
| ▸ | DPP4 | P27487 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3258924 | 1.00 | ACHE (0.50) | ACHEDPP4TDP1CHRNA7ALOX5 | |
| SCHEMBL12569051 | 1.00 | ACHE (0.50) | ACHEDPP4TDP1CHRNA7ALOX5 | |
| SCHEMBL3253749 | 1.00 | ACHE (0.50) | ACHEDPP4TDP1CHRNA7ALOX5 | |
| Hydrochloric Acid SCHEMBL30098282 | 0.97 | DPP4 (0.48) | ACHEDPP4TDP1CHRNA7ALOX5 | |
| Hydrochloric Acid SCHEMBL17137911 | 0.97 | DPP4 (0.48) | ACHEDPP4TDP1CHRNA7ALOX5 | |
| SCHEMBL18925493 | 0.87 | ACHE (0.62) | ACHEDPP4TDP1CHRNA7ALDH1A1 | |
| SCHEMBL11085901 | 0.86 | CHRNA7 (0.42) | ACHEDPP4TDP1CHRNA7ALOX5 | |
| SCHEMBL16232115 | 0.86 | CHRNA7 (0.42) | ACHEDPP4TDP1CHRNA7ALOX5 | |
| SCHEMBL16232132 | 0.86 | CHRNA7 (0.42) | ACHEDPP4TDP1CHRNA7ALOX5 | |
| SCHEMBL16232131 | 0.86 | CHRNA7 (0.42) | ACHEDPP4TDP1CHRNA7ALOX5 |
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-111440205-B | Biboric acid diol ester, preparation method thereof, intermediate thereof and application thereof | 中国科学院上海有机化学研究所 | 2022-10-04 | — | — | CN | disclosed |
| WO-2021223156-A1 | DIBORON GLYCOL ESTER, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF | 中国科学院上海有机化学研究所 | 2021-11-11 | — | — | WO | disclosed |