Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 2/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | KIFC1 | Q9BW19 | 6/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | CDC7 | O00311 | 1/20 | 0.46 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25094360 | 0.89 | RXRA (0.57) | ALDH1A1SETD7MCHR1KIFC1HDAC4 | |
| SCHEMBL24061100 | 0.80 | HTT (0.57) | ALDH1A1SETD7FYNMCHR1HDAC4 | |
| SCHEMBL8150809 | 0.79 | NPC1 (0.63) | ALDH1A1SETD7MCHR1HDAC4HDAC1 | |
| SCHEMBL25094351 | 0.78 | RXRA (0.61) | ALDH1A1DRD2DRD4DRD3HPGD | |
| SCHEMBL26378202 | 0.77 | HPGD (0.59) | ALDH1A1SETD7FYNMCHR1KIFC1 | |
| SCHEMBL24061106 | 0.75 | UTS2R (0.59) | FYN | |
| SCHEMBL10202491 | 0.75 | RAB9A (0.62) | ALDH1A1SETD7HPGD | |
| SCHEMBL12203377 | 0.75 | ALDH1A1 (0.55) | ALDH1A1HDAC6ACSS2 | |
| SCHEMBL25450896 | 0.75 | RXRA (0.50) | MCHR1KIFC1RXRARXRB | |
| SCHEMBL30046741 | 0.75 | ALDH1A1 (0.73) | ALDH1A1SETD7HDAC4HDAC1HDAC6 |
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-2022135590-A1 | PYRIMIDO-HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海凌达生物医药有限公司 | 2022-06-30 | — | — | WO | disclosed |