Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.66 |
| ▸ | PTGER1 | P34995 | 5/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | HTR1E | P28566 | 1/20 | 0.52 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.52 |
| ▸ | AURKA | O14965 | 1/20 | 0.52 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
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 | 0.91 | MEN1 (0.79) | MEN1KMT2APTGER1MAPK1NPSR1 | |
| SCHEMBL29700093 | 0.90 | MEN1 (0.67) | MEN1KMT2APTGER1AURKARPS6KB1 | |
| SCHEMBL29699739 | 0.89 | CYP3A4 (0.64) | MEN1KMT2APTGER1AURKARPS6KB1 | |
| SCHEMBL29699779 | 0.88 | MEN1 (0.64) | MEN1KMT2APTGER1AURKARPS6KB1 | |
| SCHEMBL29699842 | 0.86 | CYP3A4 (0.65) | MEN1KMT2APTGER1AURKARPS6KB1 | |
| SCHEMBL29699837 | 0.83 | MEN1 (0.58) | MEN1KMT2APTGER1AURKARPS6KB1 | |
| SCHEMBL1899756 | 0.80 | MEN1 (1.00) | MEN1KMT2APTGER1NPSR1AURKA | |
| SCHEMBL29699803 | 0.79 | PTGER1 (0.69) | MEN1KMT2APTGER1P2RY14 | |
| SCHEMBL29699784 | 0.75 | CYP19A1 (0.57) | MEN1KMT2APTGER1LMNAPOLB | |
| SCHEMBL29699827 | 0.75 | MEN1 (0.73) | MEN1KMT2APTGER1AURKARPS6KB1 |
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 |