Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | IDH2 | P48735 | 1/20 | 0.39 |
| ▸ | FABP4 | P15090 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28463105 | 0.83 | KCNH3 (0.51) | TDP1EPHX2DHODHKMT2AIDH2 | |
| SCHEMBL28464625 | 0.81 | TDP1 (0.45) | ALDH1A1TDP1DHODHKMT2AMEN1 | |
| SCHEMBL28468375 | 0.80 | ABCG2 (0.48) | AURKAALDH1A1TDP1DHODHEGFR | |
| SCHEMBL28460207 | 0.76 | ABCG2 (0.46) | ALDH1A1EGFRPOLB | |
| SCHEMBL22543121 | 0.74 | ALDH1A1 (0.58) | AURKAALDH1A1TDP1EPHX2DHODH | |
| SCHEMBL30754739 | 0.74 | ALDH1A1 (0.58) | AURKAALDH1A1TDP1EPHX2DHODH | |
| SCHEMBL8172740 | 0.74 | ALDH1A1 (0.53) | ALDH1A1TDP1EPHX2KMT2AMEN1 | |
| SCHEMBL28460612 | 0.74 | KCNH3 (0.50) | AURKAEGFRKMT2AMAPTNPSR1 | |
| SCHEMBL28459525 | 0.73 | EGFR (0.49) | ALDH1A1EGFRKMT2AMEN1MAPT | |
| SCHEMBL21611895 | 0.69 | EPHX2 (0.54) | AURKAALDH1A1TDP1EPHX2EGFR |
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-107382840-B | Pyridine compound and application thereof as IDH function mutation mutant inhibitor drug | 四川大学 | 2020-09-01 | — | — | CN | disclosed |