Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL10889760 | 0.87 | MEN1 (0.43) | MEN1KMT2ALMNAMAPTGPR55 | |
| SCHEMBL28450374 | 0.87 | MEN1 (0.48) | MEN1KMT2ALMNAMAPTGPR55 | |
| SCHEMBL7768805 | 0.79 | MEN1 (0.42) | MEN1KMT2ALMNAMAPTGPR55 | |
| SCHEMBL11620709 | 0.75 | KDM4E (0.38) | MEN1KMT2ALMNAMAPTGPR55 | |
| SCHEMBL28446235 | 0.75 | MEN1 (0.44) | MEN1KMT2ALMNASMN1; SMN2HTT | |
| SCHEMBL1670181 | 0.73 | SMN1; SMN2 (0.48) | MEN1KMT2ALMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL16191085 | 0.73 | CNR1 (0.42) | MEN1KMT2ALMNAMAPTGPR55 | |
| SCHEMBL11574346 | 0.72 | MEN1 (0.41) | MEN1KMT2ALMNAMAPTGPR55 | |
| SCHEMBL10890654 | 0.72 | ESR1 (0.46) | LMNAALDH1A1CYP3A4 | |
| SCHEMBL11624548 | 0.72 | TSHR (0.38) | MEN1KMT2ALMNAMAPTGPR55 |
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 |
| CN-111440205-A | 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 | 2020-07-24 | — | — | CN | disclosed |