Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 3/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL6644052 | 0.81 | HDAC3 (0.42) | HDAC3HDAC1HDAC2HDAC6OPRM1 | |
| SCHEMBL12666547 | 0.73 | POLB (0.46) | HDAC3HDAC1HDAC2HDAC6KMT2A | |
| SCHEMBL9640387 | 0.72 | HDAC3 (0.51) | HDAC3HDAC1HDAC2HDAC6KMT2A | |
| SCHEMBL9641290 | 0.70 | LMNA (0.52) | HDAC3HDAC1HDAC2HDAC6KMT2A | |
| SCHEMBL29071689 | 0.69 | HDAC3 (0.43) | HDAC3HDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL29071694 | 0.69 | HDAC3 (0.45) | HDAC3HDAC1HDAC2HDAC6KMT2A | |
| SCHEMBL9641234 | 0.68 | HDAC3 (0.42) | HDAC3HDAC1HDAC2HDAC6KMT2A | |
| SCHEMBL11323331 | 0.68 | SSTR4 (0.50) | HDAC3HDAC1HDAC2HDAC6KDM4E | |
| SCHEMBL29071691 | 0.68 | DRD2 (0.39) | HDAC3HDAC1HDAC2HDAC6KMT2A | |
| SCHEMBL29071769 | 0.68 | HDAC3 (0.43) | HDAC3HDAC1HDAC2HDAC6TSHR |
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-114805409-B | Reaction method for ring-opening boronation of cyclopropane compound by front transition metal catalysis | 中国科学院兰州化学物理研究所 | 2023-09-19 | — | — | CN | disclosed |
| CN-114805409-A | Reaction method for ring-opening boronation of cyclopropane compound under catalysis of early transition metal | 中国科学院兰州化学物理研究所 | 2022-07-29 | — | — | CN | disclosed |