Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.64 |
| ▸ | AURKA | O14965 | 1/20 | 0.53 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CPT2 | P23786 | 1/20 | 0.49 |
| ▸ | CPT1A | P50416 | 1/20 | 0.49 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.49 |
| ▸ | PTGER1 | P34995 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29699759 | 0.89 | MEN1 (0.79) | MEN1KMT2AAURKARPS6KB1CYP3A4 | |
| SCHEMBL29699842 | 0.88 | CYP3A4 (0.65) | MEN1KMT2AAURKARPS6KB1CYP3A4 | |
| SCHEMBL29700093 | 0.88 | MEN1 (0.67) | MEN1KMT2AAURKARPS6KB1CYP3A4 | |
| SCHEMBL29699847 | 0.88 | MEN1 (0.66) | MEN1KMT2AAURKARPS6KB1CYP3A4 | |
| SCHEMBL29699739 | 0.85 | CYP3A4 (0.64) | MEN1KMT2AAURKARPS6KB1CYP3A4 | |
| SCHEMBL29699837 | 0.82 | MEN1 (0.58) | MEN1KMT2AAURKARPS6KB1CYP3A4 | |
| SCHEMBL1899756 | 0.78 | MEN1 (1.00) | MEN1KMT2AAURKARPS6KB1CYP3A4 | |
| SCHEMBL29699764 | 0.78 | CYP3A4 (0.83) | MEN1KMT2AAURKARPS6KB1CYP3A4 | |
| SCHEMBL29699827 | 0.78 | MEN1 (0.73) | MEN1KMT2AAURKARPS6KB1CYP3A4 | |
| SCHEMBL29699803 | 0.78 | PTGER1 (0.69) | MEN1KMT2APTGER1P2RY14PTGDR2 |
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-114685371-A | Pyrazole carboxamide derivatives, their preparation and use | 四川大学 | 2022-07-01 | — | — | CN | disclosed |