Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | NQO2 | P16083 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18073576 | 0.85 | CYP19A1 (0.46) | ALDH1A1KDM4ESMN1; SMN2HPGDCYP19A1 | |
| SCHEMBL10954823 | 0.81 | CYP19A1 (0.58) | ALDH1A1KDM4ESMN1; SMN2HPGDCYP19A1 | |
| SCHEMBL27295494 | 0.80 | ALDH1A1 (0.40) | ALDH1A1KDM4ESMN1; SMN2HPGDCYP19A1 | |
| SCHEMBL10956862 | 0.80 | ALDH1A1 (0.44) | ALDH1A1KDM4ESMN1; SMN2HPGDCYP19A1 | |
| SCHEMBL3671768 | 0.77 | CSNK2A2 (0.41) | KDM4EMAPTCA12PARP1CA9 | |
| SCHEMBL7034353 | 0.74 | IDH1 (0.40) | KDM4EMAPTCA12PARP1CA9 | |
| SCHEMBL27299278 | 0.74 | PARP1 (0.37) | KDM4EGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL2919027 | 0.71 | ALDH1A1 (0.49) | ALDH1A1KDM4ESMN1; SMN2HPGDCYP19A1 | |
| SCHEMBL9038259 | 0.71 | CYP19A1 (0.59) | ALDH1A1KDM4ESMN1; SMN2HPGDCYP19A1 | |
| SCHEMBL22662655 | 0.70 | AR (0.43) | ALDH1A1KDM4EHSD17B10PPARGMAPT |
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-4617262-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | Kyoto University (JP) | 2025-09-17 | — | — | EP | disclosed |
| WO-2024101336-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | 国立大学法人京都大学 | 2024-05-16 | — | — | WO | disclosed |