Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 2/20 | 0.51 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RGS12 | O14924 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30148890 | 0.93 | CYP26A1 (0.48) | CYP26A1CYP26B1AKR1B1CA2RAB9A | |
| SCHEMBL28953081 | 0.88 | CYP26A1 (0.46) | CYP26A1CYP26B1AKR1B1CA2RAB9A | |
| SCHEMBL6146899 | 0.84 | CYP26A1 (0.69) | CYP26A1CYP26B1AKR1B1RXRARXRB | |
| SCHEMBL6146444 | 0.81 | CYP26A1 (0.50) | CYP26A1CYP26B1AKR1B1CA2RAB9A | |
| SCHEMBL1162271 | 0.81 | CYP26A1 (0.50) | CYP26A1CYP26B1AKR1B1CA2RAB9A | |
| SCHEMBL28347731 | 0.77 | RARA (0.54) | CYP26A1CYP26B1AKR1B1CA2RAB9A | |
| SCHEMBL30353220 | 0.77 | RARA (0.54) | CYP26A1CYP26B1AKR1B1CA2RAB9A | |
| SCHEMBL286952 | 0.76 | ALDH1A1 (0.60) | AKR1B1RAB9AALDH1A1HPGDHSD17B10 | |
| SCHEMBL28922878 | 0.75 | PDCD1 (0.36) | CYP26A1CYP26B1AKR1B1ALDH1A1LMNA | |
| SCHEMBL17316518 | 0.75 | CYP26A1 (0.52) | CYP26A1CYP26B1RAB9AALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114907389-A | Boronic acid derivatives | 首药控股(北京)股份有限公司 | 2022-08-16 | — | — | CN | disclosed |