Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 9/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL4937053 | 0.84 | CNR2 (0.55) | BRD4CNR2 | |
| SCHEMBL18155122 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPTKDM4EBRD4 | |
| SCHEMBL182524 | 0.82 | PLA2G4B (0.54) | ALDH1A1MAPTCRHBPCRHR2L3MBTL1 | |
| SCHEMBL21824146 | 0.82 | ALDH1A1 (0.57) | ALDH1A1TDP1MAPTKDM4EBRD4 | |
| SCHEMBL19763065 | 0.81 | ALDH1A1 (0.61) | ALDH1A1TDP1MAPTKDM4EKMT2A | |
| SCHEMBL6489590 | 0.79 | ALDH1A1 (0.53) | ALDH1A1TDP1MAPTKDM4EBRD4 | |
| SCHEMBL21824057 | 0.79 | ALDH1A1 (0.58) | ALDH1A1TDP1MAPTKDM4ELMNA | |
| SCHEMBL7312411 | 0.79 | MAPT (0.48) | ALDH1A1TDP1MAPTKDM4EBRD4 | |
| SCHEMBL25565309 | 0.78 | ALDH1A1 (0.51) | ALDH1A1TDP1MAPTKDM4EL3MBTL1 | |
| SCHEMBL14038390 | 0.78 | ALDH1A1 (0.55) | ALDH1A1TDP1MAPTKDM4EBRD4 |
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-101538252-B | Novel preparation method and intermediate for aripiprazole | CHENGDU KANGHONG PHARMACEUTICAL GROUP | 2011-04-20 | — | — | CN | claimed |