Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CDC20 | Q12834 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | GUSB | P08236 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL28460899 | 0.91 | CDC20 (0.44) | ALDH1A1THRBLMNAMAPK1TSHR | |
| SCHEMBL28462596 | 0.80 | CDC20 (0.42) | ALDH1A1THRBLMNAMAPK1TSHR | |
| SCHEMBL28457230 | 0.77 | CDC20 (0.59) | ALDH1A1THRBCDC20MEN1KMT2A | |
| SCHEMBL28465271 | 0.76 | CDC20 (0.41) | ALDH1A1THRBLMNAMAPK1TSHR | |
| SCHEMBL28937292 | 0.74 | CDC20 (0.45) | ALDH1A1THRBLMNAMAPK1TSHR | |
| SCHEMBL28465257 | 0.73 | MEN1 (0.46) | ALDH1A1THRBLMNAMAPK1TSHR | |
| SCHEMBL30082818 | 0.73 | MEN1 (0.46) | ALDH1A1THRBLMNAMAPK1TSHR | |
| SCHEMBL28898776 | 0.73 | ALDH1A1 (0.40) | ALDH1A1THRBLMNAMAPK1TSHR | |
| SCHEMBL11868249 | 0.64 | LMNA (0.68) | ALDH1A1THRBLMNAMAPK1TSHR | |
| SCHEMBL5309855 | 0.64 | LMNA (0.70) | ALDH1A1THRBLMNAMAPK1TSHR |
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-111606891-B | (1,1,1-trichloro-2) carbamate derivative and preparation method and application thereof | 中南大学 | 2023-01-17 | — | — | CN | disclosed |