Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL30674690 | 0.88 | HTT (0.30) | HTT | |
| SCHEMBL25517038 | 0.81 | EPHX2 (0.42) | ALDH1A1HPGD | |
| SCHEMBL4264946 | 0.76 | POLB (0.54) | HTTGAALMNA | |
| SCHEMBL25518362 | 0.76 | ALDH1A1 (0.40) | HTTALDH1A1MAPTLMNA | |
| SCHEMBL16136078 | 0.72 | HPGD (0.53) | HTTALDH1A1MAPTHPGDLMNA | |
| SCHEMBL28512163 | 0.71 | — | — | |
| SCHEMBL28512164 | 0.71 | — | — | |
| SCHEMBL1936310 | 0.71 | HSD11B1 (0.37) | ALDH1A1HPGD | |
| SCHEMBL12658989 | 0.70 | NCF1 (0.36) | ALDH1A1HPGDLMNA | |
| SCHEMBL11049355 | 0.69 | TSHR (0.33) | ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109503582-A | Synthesis method of cis-spiro [ piperidino-4, 1' -pyrrolo [3,4-C ] pyrrole ] -1-tert-butyl formate | 上海合全药物研发有限公司 | 2019-03-22 | — | — | CN | claimed |
| CN-109503582-A | Synthesis method of cis-spiro [ piperidino-4, 1' -pyrrolo [3,4-C ] pyrrole ] -1-tert-butyl formate | 上海合全药物研发有限公司 | 2019-03-22 | — | — | CN | disclosed |
| CN-109503582-A | Synthesis method of cis-spiro [ piperidino-4, 1' -pyrrolo [3,4-C ] pyrrole ] -1-tert-butyl formate | 上海合全药物研发有限公司 | 2019-03-22 | — | — | CN | disclosed |