Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.41 |
| ▸ | NQO2 | P16083 | 4/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31685031 | 1.00 | KDM4E (0.51) | KDM4EALDH1A1HPGDSMN1; SMN2PDE3B | |
| SCHEMBL7028988 | 0.81 | NQO2 (0.59) | KDM4EALDH1A1HPGDSMN1; SMN2PDE3B | |
| SCHEMBL1381227 | 0.80 | KDM4E (0.51) | KDM4EALDH1A1HPGDSMN1; SMN2PDE3B | |
| SCHEMBL16166967 | 0.80 | KDM4E (0.51) | KDM4EALDH1A1HPGDSMN1; SMN2PDE3B | |
| SCHEMBL24549462 | 0.79 | DRD2 (0.48) | KDM4EALDH1A1HPGDSMN1; SMN2PDE3B | |
| SCHEMBL29653729 | 0.79 | DRD2 (0.48) | KDM4EALDH1A1HPGDSMN1; SMN2PDE3B | |
| Hydrochloric Acid SCHEMBL7516809 | 0.79 | KDM4E (0.50) | KDM4EALDH1A1HPGDSMN1; SMN2PDE3B | |
| SCHEMBL27101008 | 0.77 | TYMP (0.42) | KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D | |
| SCHEMBL3423565 | 0.77 | KDM4E (0.50) | KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D | |
| SCHEMBL9038259 | 0.75 | CYP19A1 (0.59) | KDM4EALDH1A1HPGDSMN1; SMN2PDE3B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024101336-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | 国立大学法人京都大学 | 2024-05-16 | — | — | WO | disclosed |