Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | GAA | P10253 | 5/20 | 0.34 |
| ▸ | GLA | P06280 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28753038 | 0.84 | GPR119 (0.47) | — | |
| SCHEMBL29634701 | 0.77 | IRAK4 (0.33) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL24408808 | 0.77 | IRAK4 (0.33) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL22495703 | 0.74 | TRPM8 (0.38) | ALDH1A1KMT2AHDAC3HDAC4HDAC1 | |
| SCHEMBL3866662 | 0.71 | DRD2 (0.50) | EPHX2 | |
| SCHEMBL22582992 | 0.69 | IRAK4 (0.38) | GAAKMT2AIRAK4 | |
| SCHEMBL4386363 | 0.69 | HTR2A (0.48) | KMT2ACYP19A1HDAC3HDAC4HDAC1 | |
| SCHEMBL730875 | 0.69 | HTR2A (0.57) | KDM4EALDH1A1GAAGLAHPGD | |
| SCHEMBL18148523 | 0.69 | HTR2A (0.48) | KMT2ACYP19A1HDAC3HDAC4HDAC1 | |
| SCHEMBL19030233 | 0.69 | HSD11B1 (0.50) | KMT2AHDAC3HDAC4HDAC1HDAC7 |
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-2022095971-A1 | SPIRO HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海医药集团股份有限公司 | 2022-05-12 | — | — | WO | disclosed |