Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | BRD9 | Q9H8M2 | 3/20 | 0.50 |
| ▸ | MAT2A | P31153 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | BRD7 | Q9NPI1 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21979009 | 1.00 | NQO2 (0.61) | NQO2KDM4EKAT2BALDH1A1ALOX15 | |
| SCHEMBL21979134 | 0.86 | NQO2 (0.61) | NQO2KDM4EKAT2BALDH1A1ALOX15 | |
| SCHEMBL30727441 | 0.84 | MAT2A (0.50) | NQO2KDM4EALDH1A1ALOX15TSHR | |
| SCHEMBL11825468 | 0.81 | ALDH1A1 (0.62) | KDM4EALDH1A1ALOX15TSHRCYP1A2 | |
| SCHEMBL2358278 | 0.79 | NQO2 (0.61) | NQO2KDM4EKAT2BALDH1A1HSD17B10 | |
| SCHEMBL21979087 | 0.79 | NQO2 (0.61) | NQO2KDM4EKAT2BALDH1A1HSD17B10 | |
| SCHEMBL9869325 | 0.79 | KDM4E (0.61) | NQO2KDM4EKAT2BALDH1A1CYP1A2 | |
| SCHEMBL30901328 | 0.79 | NQO2 (0.61) | NQO2KDM4EKAT2BALDH1A1HSD17B10 | |
| SCHEMBL18056960 | 0.79 | NQO2 (0.61) | NQO2KDM4EKAT2BALDH1A1HSD17B10 | |
| SCHEMBL31507122 | 0.77 | NTRK1 (0.45) | KDM4EKAT2BALDH1A1ALOX15TSHR |
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-112969504-B | Compounds for inhibiting alpha 4 beta 7 integrin | 吉利德科学公司 | 2024-04-09 | — | — | CN | disclosed |