Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.43 |
| ▸ | ABAT | P80404 | 1/20 | 0.43 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | S100A4 | P26447 | 2/20 | 0.39 |
| ▸ | XDH | P47989 | 2/20 | 0.39 |
| ▸ | FBP1 | P09467 | 1/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.38 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 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 | |
|---|---|---|---|---|
| SCHEMBL1999472 | 0.79 | ALDH1A1 (0.69) | ALDH1A1TDP1MAPTMEN1KMT2A | |
| SCHEMBL6797781 | 0.79 | TDP1 (0.46) | ALDH1A1TDP1MAPTMEN1KMT2A | |
| SCHEMBL26704116 | 0.78 | TRIM24 (0.44) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL2000140 | 0.75 | EIF4E (0.45) | ALDH1A1TDP1VCAM1MEN1KMT2A | |
| SCHEMBL13482044 | 0.75 | ERN1 (0.51) | ALDH1A1TDP1MAPTLMNAERN1 | |
| SCHEMBL28891805 | 0.73 | TRIM24 (0.42) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL5490744 | 0.73 | TRIM24 (0.52) | ALDH1A1MEN1KMT2ACA12CA1 | |
| SCHEMBL5733634 | 0.73 | KIF11 (0.43) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL13483001 | 0.73 | PTPRC (0.47) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL31491413 | 0.73 | PTPRC (0.47) | ALDH1A1CA12CA1CA2CA9 |
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-109843874-A | Inhibitor as PARP1, PARP2 and/or tubulin can be used for the phthalazine derivatives for the treatment of cancer | 加利福尼亚大学董事会 | 2019-06-04 | — | — | CN | disclosed |