Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.53 |
| ▸ | FBP1 | P09467 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | P4HB | P07237 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL231074 | 0.93 | ALDH1A1 (0.60) | ALDH1A1KDM4EFBP1L3MBTL1TDP1 | |
| SCHEMBL5202399 | 0.85 | FBP1 (0.53) | ALDH1A1KDM4EFBP1L3MBTL1TDP1 | |
| SCHEMBL5202408 | 0.85 | FBP1 (0.53) | ALDH1A1KDM4EFBP1L3MBTL1TDP1 | |
| SCHEMBL7047 | 0.80 | EGFR (0.52) | ALDH1A1KDM4EFBP1L3MBTL1EGFR | |
| Water SCHEMBL29120229 | 0.80 | EGFR (0.52) | ALDH1A1KDM4EFBP1L3MBTL1EGFR | |
| SCHEMBL29098889 | 0.79 | ALDH1A1 (0.58) | ALDH1A1KDM4EFBP1L3MBTL1EGFR | |
| SCHEMBL2439472 | 0.79 | FBP1 (0.57) | ALDH1A1KDM4EFBP1L3MBTL1PKM | |
| SCHEMBL2439471 | 0.79 | FBP1 (0.57) | ALDH1A1KDM4EFBP1L3MBTL1PKM | |
| SCHEMBL8028788 | 0.78 | KMT2A (0.47) | ALDH1A1KDM4EFBP1L3MBTL1TDP1 | |
| SCHEMBL8028786 | 0.78 | KMT2A (0.47) | ALDH1A1KDM4EFBP1L3MBTL1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5185370-A | Substituted β-diketones and their use | ORION-YHTYMA OY (FI) | 1993-02-09 | — | — | US | disclosed |