Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.39 |
| ▸ | GMNN | O75496 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 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 | |
|---|---|---|---|---|
| SCHEMBL2526939 | 0.91 | CYP1A2 (0.49) | CYP1A2LMNAMAPK1GMNNMAPT | |
| SCHEMBL2032940 | 0.89 | CYP1A2 (0.37) | CYP1A2LMNAMAPK1GMNNMAPT | |
| SCHEMBL20581480 | 0.89 | ALDH1A1 (0.44) | CYP1A2LMNAMAPK1GMNNMAPT | |
| SCHEMBL4362567 | 0.89 | ALDH1A1 (0.44) | CYP1A2LMNAMAPK1GMNNMAPT | |
| SCHEMBL25527286 | 0.87 | ACE (0.40) | CYP1A2LMNAMAPK1GMNNMAPT | |
| SCHEMBL8439026 | 0.86 | ALDH1A1 (0.38) | CYP1A2LMNAMAPK1GMNNMAPT | |
| SCHEMBL393404 | 0.86 | CYP1A2 (0.41) | CYP1A2LMNAMAPK1GMNNMAPT | |
| SCHEMBL727455 | 0.86 | CAMK2A (0.43) | CYP1A2LMNAMAPK1GMNNMAPT | |
| SCHEMBL3044276 | 0.86 | LMNA (0.53) | CYP1A2LMNAMAPK1GMNNMAPT | |
| SCHEMBL393403 | 0.86 | CYP1A2 (0.41) | CYP1A2LMNAMAPK1GMNNMAPT |
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-116917264-A | Process for preparing hydroxybutyric acid carboxylic ester | 凯托利皮克斯治疗有限责任公司 | 2023-10-20 | — | — | CN | disclosed |