Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13778136 | 0.85 | MAPK1 (0.53) | CES1CA1CA2TDP1KMT2A | |
| SCHEMBL13778239 | 0.83 | TDP1 (0.53) | CES1CA1CA2TDP1KMT2A | |
| SCHEMBL28482294 | 0.83 | ALDH1A1 (0.39) | CA1CA2TDP1KMT2AALDH1A1 | |
| SCHEMBL4533690 | 0.82 | CES1 (0.57) | CES1CA1CA2TDP1KMT2A | |
| SCHEMBL9317591 | 0.81 | MAPK1 (0.56) | CES1CA1CA2TDP1KMT2A | |
| SCHEMBL4900644 | 0.81 | CES1 (0.55) | CES1CA1CA2TDP1KMT2A | |
| SCHEMBL3925273 | 0.80 | POLB (0.55) | CES1CA1CA2TDP1KMT2A | |
| SCHEMBL3925272 | 0.80 | POLB (0.55) | CES1CA1CA2TDP1KMT2A | |
| SCHEMBL28786163 | 0.80 | CYP1B1 (0.62) | CES1TDP1KMT2AALDH1A1MAPK1 | |
| SCHEMBL254773 | 0.77 | CES1 (0.65) | CES1CA1CA2TDP1KMT2A |
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-109456215-B | Functional diamine monomer with high planarity and containing fluorene or fluorenone structure as well as synthesis method and application thereof | 湖南工业大学 | 2021-10-01 | — | — | CN | disclosed |