Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TGM2 | P21980 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11051 | 0.98 | CA12 (0.53) | CA12CA2CA9CA1ALDH1A1 | |
| SCHEMBL16371883 | 0.98 | CA12 (0.53) | CA12CA2CA9CA1ALDH1A1 | |
| SCHEMBL253353 | 0.95 | CA12 (0.52) | CA12CA2CA9CA1ALDH1A1 | |
| SCHEMBL10385905 | 0.95 | CA12 (0.52) | CA12CA2CA9CA1ALDH1A1 | |
| Iodide SCHEMBL11631405 | 0.95 | CA12 (0.52) | CA12CA2CA9CA1ALDH1A1 | |
| Water SCHEMBL10657216 | 0.95 | CA12 (0.52) | CA12CA2CA9CA1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL728400 | 0.95 | CA12 (0.52) | CA12CA2CA9CA1ALDH1A1 | |
| Cyanide SCHEMBL29655773 | 0.91 | CA12 (0.48) | CA12CA2CA9CA1ALDH1A1 | |
| SCHEMBL821094 | 0.89 | ALDH1A1 (0.54) | CA12CA2CA9CA1ALDH1A1 | |
| SCHEMBL27549272 | 0.87 | CA12 (0.46) | CA12CA2CA9CA1ALDH1A1 |
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-109705159-A | A kind of preparation method and application of phosphorous nitrogen ligand alkyl aluminum compound | 青岛科技大学 | 2019-05-03 | — | — | CN | claimed |