Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.38 |
| ▸ | TDO2 | P48775 | 3/20 | 0.38 |
| ▸ | HTR1A | P08908 | 3/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18034384 | 0.92 | IDO1 (0.42) | IDO1TDO2HTR1AALOX5NR3C1 | |
| SCHEMBL15550386 | 0.90 | IDO1 (0.44) | IDO1TDO2DHODHKDM4E | |
| SCHEMBL16463242 | 0.83 | IDO1 (0.38) | IDO1TDO2ALOX5 | |
| SCHEMBL2551770 | 0.83 | IDO1 (0.38) | IDO1TDO2ALOX5 | |
| SCHEMBL14873238 | 0.76 | IDO1 (0.36) | IDO1TDO2ALOX5 | |
| SCHEMBL2555848 | 0.76 | IDO1 (0.36) | IDO1TDO2ALOX5 | |
| SCHEMBL14862307 | 0.76 | IDO1 (0.36) | IDO1TDO2ALOX5 | |
| SCHEMBL16363542 | 0.75 | IDO1 (0.33) | IDO1TDO2 | |
| Hydrochloric Acid SCHEMBL15400532 | 0.75 | IDO1 (0.39) | IDO1TDO2ALOX5KDM4E | |
| SCHEMBL20217413 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116987095-A | Spiro-containing derivative, preparation method and application thereof | 上海枢境生物科技有限公司 | 2023-11-03 | — | — | CN | disclosed |
| CN-116057060-B | Spiro-containing derivative, preparation method and application thereof | 上海枢境生物科技有限公司 | 2023-08-29 | — | — | CN | disclosed |
| CN-116057060-A | Spiro-containing derivative, preparation method and application thereof | 上海枢境生物科技有限公司 | 2023-05-02 | — | — | CN | disclosed |
| CN-115348961-A | Heterocyclic PAD4 inhibitors | 百时美施贵宝公司 | 2022-11-15 | — | — | CN | disclosed |
| US-8053378-B2 | Modified phenolic resin, epoxy resin composition containing the same, and prepreg containing the composition | MITSUI CHEMICALS, INC. (JP) | 2011-11-08 | — | — | US | disclosed |
| US-20080044667-A1 | Modified Phenolic Resin, Epoxy Resin Composition Containing the Same, and Prepreg Containing the Composition | MITSUI CHEMICALS, INC. (JP) | 2008-02-21 | — | — | US | disclosed |