Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAT2A | P31153 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | COMT | P21964 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3843210 | 0.81 | EGFR (0.31) | EGFR | |
| SCHEMBL14618766 | 0.75 | ALDH1A1 (0.40) | HTTKDM4EALDH1A1 | |
| SCHEMBL5052056 | 0.74 | EGFR (0.34) | EGFRKDM4EALDH1A1 | |
| SCHEMBL28387105 | 0.71 | EGFR (0.35) | EGFRALDH1A1 | |
| SCHEMBL17969394 | 0.70 | ALDH1A1 (0.35) | HTTSMN1; SMN2KDM4ENPC1ALDH1A1 | |
| SCHEMBL5337461 | 0.69 | EGFR (0.34) | EGFR | |
| SCHEMBL3726363 | 0.69 | EGFR (0.33) | EGFR | |
| SCHEMBL23050786 | 0.68 | RPS6KA5 (0.40) | SMN1; SMN2KDM4ENPC1ALDH1A1COMT | |
| SCHEMBL25670732 | 0.67 | POLB (0.38) | HTTSMN1; SMN2KDM4ENPC1ALDH1A1 | |
| SCHEMBL12725097 | 0.67 | ENPP1 (0.36) | MAT2ANPC1ALDH1A1 |
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-2021121282-A1 | PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS WITH IMMUNOMODULATORY FUNCTION | 上海轶诺药业有限公司 | 2021-06-24 | — | — | WO | disclosed |