Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | HTR1D | P28221 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL32675963 | 0.85 | NOTUM (0.36) | NOTUM | |
| SCHEMBL28249904 | 0.81 | KIF11 (0.37) | NOTUMMAPT | |
| SCHEMBL28145993 | 0.80 | KEAP1 (0.39) | ALDH1A1HTR2CALOX5NOTUMMAPT | |
| SCHEMBL27457816 | 0.76 | MEN1 (0.41) | ALDH1A1MEN1KMT2ALMNAKDM4E | |
| SCHEMBL2362320 | 0.75 | MAPT (0.35) | ALDH1A1SIGMAR1MAPTHTTMEN1 | |
| SCHEMBL30642749 | 0.69 | ALDH1A1 (0.41) | ALDH1A1MAPTHTTMEN1KMT2A | |
| SCHEMBL28918666 | 0.69 | DHFR (0.30) | — | |
| SCHEMBL28261507 | 0.68 | MAPK1 (0.33) | ALDH1A1NOTUMMAPTHTTMEN1 | |
| SCHEMBL28254340 | 0.68 | — | — | |
| SCHEMBL28178897 | 0.68 | CYP2A6 (0.40) | MAPTHTT |
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-105121442-A | PI3K and/or mTOR inhibitor prodrug | XUANZHU PHARMA CO LTD | 2015-12-02 | — | — | CN | disclosed |