Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.40 |
| ▸ | HIPK4 | Q8NE63 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | BRD1 | O95696 | 1/20 | 0.39 |
| ▸ | TAF1 | P21675 | 1/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20523449 | 0.79 | NR1H3 (0.49) | NR1H3MEN1KMT2ANR1H2SCN2A | |
| SCHEMBL20523720 | 0.76 | KMT2A (0.43) | NR1H3KMT2ANR1H2SCN2A | |
| SCHEMBL12733162 | 0.74 | ESR1 (0.51) | TYMSESR1ESR2NR1H3NR1H2 | |
| SCHEMBL7514060 | 0.72 | MEN1 (0.49) | TYMSESR1ESR2NR1H3MEN1 | |
| SCHEMBL2150841 | 0.70 | MEN1 (0.55) | ESR1ESR2NR1H3MEN1KMT2A | |
| SCHEMBL19317166 | 0.69 | MEN1 (0.52) | ESR1ESR2NR1H3MEN1KMT2A | |
| SCHEMBL6005895 | 0.68 | ESR1 (0.62) | TYMSESR1ESR2NR1H3MEN1 | |
| SCHEMBL5352001 | 0.67 | SCN2A (0.64) | ESR1ESR2NR1H3MEN1KMT2A | |
| SCHEMBL3914777 | 0.67 | POLB (0.41) | ESR1MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL9039889 | 0.67 | SCN2A (0.67) | TYMSESR1MEN1KMT2ASCN2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3600307-A1 | COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES | University of Houston System (US) | 2020-02-05 | — | — | EP | disclosed |
| WO-2018183633-A1 | COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES | UNIVERSITY OF HOUSTON SYSTEM (US) | 2018-10-04 | — | — | WO | disclosed |