Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | BAD | Q92934 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | CTBP2 | P56545 | 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 | |
|---|---|---|---|---|
| SCHEMBL27625470 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CES2CES1IDO1BCL2L1 | |
| SCHEMBL241697 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28332228 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL11594970 | 0.76 | — | — | |
| SCHEMBL28970660 | 0.76 | — | — | |
| SCHEMBL27525354 | 0.76 | — | — | |
| SCHEMBL2200065 | 0.74 | PTPN1 (0.61) | ALDH1A1PTPN1NPC1RAB9AMITF | |
| Oxalic Acid SCHEMBL20984258 | 0.74 | ALDH1A1 (0.54) | ALDH1A1IDO1PTPN1NPC1RAB9A | |
| Fluorobenzene SCHEMBL27604330 | 0.73 | KCNN4 (0.45) | ALDH1A1KCNN4NPC1RAB9A | |
| SCHEMBL20711477 | 0.73 | GAA (0.54) | ALDH1A1IDO1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107663161-A | A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt | 上海惠和化德生物科技有限公司 | 2018-02-06 | — | — | CN | disclosed |