Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3408691 | 0.83 | TDP1 (0.55) | HTTPOLBPTGS1PTGS2ATM | |
| SCHEMBL27588344 | 0.78 | HTT (0.47) | HTTPOLBALDH1A1NPC1TP53 | |
| SCHEMBL5862424 | 0.76 | CHRM2 (0.41) | POLBALDH1A1TSHRGAA | |
| SCHEMBL15978546 | 0.75 | ALDH1A1 (0.38) | POLBPTGS1PTGS2ALDH1A1TP53 | |
| SCHEMBL13078112 | 0.75 | NPC1 (0.47) | HTTPOLBALDH1A1NPC1RAB9A | |
| 2-Ethylfuran SCHEMBL8705055 | 0.74 | TDP1 (0.51) | POLBALDH1A1ATMTSHRNPC1 | |
| SCHEMBL574955 | 0.73 | — | — | |
| SCHEMBL19458019 | 0.72 | MAPT (0.41) | HTTPTGS1ALDH1A1ATMNPC1 | |
| SCHEMBL2266485 | 0.72 | POLB (0.47) | HTTPOLBALDH1A1THRBTP53 | |
| SCHEMBL1404275 | 0.72 | CHRM2 (0.46) | POLBALDH1A1TSHRTP53GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105695101-A | Zingiber purpureum Rosc. volatile oil extracted through supercritical carbon dioxide and preparation method and application of Zingiber purpureum Rosc. volatile oil | 西双版纳版纳药业有限责任公司 | 2016-06-22 | — | — | CN | claimed |
| CN-105695101-A | Zingiber purpureum Rosc. volatile oil extracted through supercritical carbon dioxide and preparation method and application of Zingiber purpureum Rosc. volatile oil | 西双版纳版纳药业有限责任公司 | 2016-06-22 | — | — | CN | disclosed |