Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 10/20 | 0.52 |
| ▸ | TDO2 | P48775 | 5/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | PSEN1 | P49768 | 4/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 4/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 4/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 4/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 4/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 4/20 | 0.40 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.39 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | FPR2 | P25090 | 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 | |
|---|---|---|---|---|
| SCHEMBL28332967 | 1.00 | IDO1 (0.52) | IDO1TDO2CYP2C9CYP3A4CYP2C8 | |
| SCHEMBL21583825 | 1.00 | IDO1 (0.52) | IDO1TDO2CYP2C9CYP3A4CYP2C8 | |
| SCHEMBL20838627 | 0.87 | IDO1 (0.64) | IDO1TDO2CYP2C9CYP3A4CYP2C8 | |
| SCHEMBL28335166 | 0.80 | IDO1 (0.45) | IDO1 | |
| SCHEMBL28335167 | 0.80 | IDO1 (0.45) | IDO1 | |
| SCHEMBL21583837 | 0.77 | POLB (0.48) | IDO1TDO2CYP2C9CYP3A4CYP2C8 | |
| SCHEMBL22986541 | 0.77 | IDO1 (0.51) | IDO1TDO2CYP2C9CYP3A4CYP2C8 | |
| SCHEMBL21583832 | 0.77 | IDO1 (0.45) | IDO1TDO2CYP2C9CYP3A4CYP2C8 | |
| SCHEMBL22270953 | 0.76 | IDO1 (0.80) | IDO1TDO2CYP2C9CYP3A4CYP2C8 | |
| SCHEMBL22270414 | 0.76 | IDO1 (0.80) | IDO1TDO2CYP2C9CYP3A4CYP2C8 |
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-110540521-A | Octahydro pentalene compound, preparation method and application thereof in medicine and pharmacology | BEIJING INNOCARE PHARMA TECH CO LTD | 2019-12-06 | — | — | CN | disclosed |