Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 2/20 | 0.41 |
| ▸ | TSPO | P30536 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL7019811 | 0.84 | MEN1 (0.51) | CYP1A2CYP2C9CYP2C19LMNASLC6A2 | |
| SCHEMBL1698191 | 0.81 | CYP2C9 (0.67) | CYP1A2CYP2C9CYP2C19LMNACYP2D6 | |
| SCHEMBL27587273 | 0.79 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19LMNACYP2D6 | |
| Ammonia Solution, Strong SCHEMBL8959000 | 0.79 | CYP2C9 (0.64) | CYP1A2CYP2C9CYP2C19LMNACYP2D6 | |
| SCHEMBL28450377 | 0.74 | LMNA (0.43) | CYP1A2CYP2C9CYP2C19LMNACYP2D6 | |
| SCHEMBL28447543 | 0.74 | CYP2C19 (0.40) | CYP1A2CYP2C9CYP2C19LMNACYP2D6 | |
| SCHEMBL5463753 | 0.72 | CYP19A1 (0.49) | CYP1A2CYP2C9CYP2C19LMNACYP2D6 | |
| SCHEMBL7020533 | 0.72 | CYP19A1 (0.56) | CYP1A2CYP2C9CYP2C19LMNAFDPS | |
| SCHEMBL7025430 | 0.72 | LTA4H (0.53) | CYP1A2CYP2C9CYP2C19LMNAKMT2A | |
| SCHEMBL5027093 | 0.72 | CALM1 (0.60) | LMNACYP2D6IDH1TSPO |
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 |