Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | KDM4A | O75164 | 1/20 | 0.30 |
| ▸ | KDM5C | P41229 | 1/20 | 0.30 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.30 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.30 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21589364 | 0.68 | CYP3A4 (0.48) | CYP3A4TDP1KDM4EGAABRD4 | |
| SCHEMBL28275505 | 0.67 | TDP1 (0.92) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL31412011 | 0.67 | TDP1 (0.92) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL2846416 | 0.64 | TDP1 (0.55) | CYP3A4TDP1KDM4EGAAESR1 | |
| Ethane SCHEMBL27526681 | 0.64 | TDP1 (0.86) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL2085135 | 0.64 | TDP1 (1.00) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL101 | 0.64 | TDP1 (1.00) | CYP3A4TDP1KDM4EGAAESR1 | |
| Benzene SCHEMBL6890099 | 0.64 | TDP1 (1.00) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL5028587 | 0.64 | TDP1 (1.00) | CYP3A4TDP1KDM4EGAAESR1 | |
| Methyl Alcohol SCHEMBL16974123 | 0.62 | TDP1 (0.80) | CYP3A4TDP1KDM4EGAAESR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019234228-A1 | BETA-AMINO-ALPHA-HYDROXYALKYLPHENYL DERIVATIVES AND THEIR USE FOR CANCER TREATMENT | RISING TIDE FOUNDATION (CH) | 2019-12-12 | — | — | WO | disclosed |