Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9220704 | 0.81 | AKR1B1 (0.42) | AKR1B1HTR2CDRD2HTR2AHIF1A | |
| SCHEMBL17193802 | 0.80 | KDM4E (0.34) | HTR2CALDH1A1 | |
| SCHEMBL19030108 | 0.77 | AKR1B1 (0.34) | AKR1B1HTR2CDRD2HTR2AHIF1A | |
| SCHEMBL18474240 | 0.76 | AKR1B1 (0.36) | AKR1B1HTR2CDRD2HTR2AHIF1A | |
| SCHEMBL19030789 | 0.76 | HIF1A (0.36) | AKR1B1HTR2CDRD2HTR2AHIF1A | |
| SCHEMBL24377045 | 0.76 | HTR2C (0.37) | AKR1B1HTR2CDRD2HTR2AHIF1A | |
| SCHEMBL19045955 | 0.75 | AKR1B1 (0.35) | AKR1B1HTR2CDRD2HTR2AHIF1A | |
| SCHEMBL19030166 | 0.73 | AKR1B1 (0.43) | AKR1B1HIF1ATRPV1HCAR3HCAR2 | |
| SCHEMBL19030537 | 0.73 | AKR1B1 (0.35) | AKR1B1HTR2CDRD2HTR2AHIF1A | |
| SCHEMBL18536298 | 0.73 | CYP2D6 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3133071-A1 | C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF | Shanghai De Novo Pharmatech Co Ltd. (CN) | 2017-02-22 | — | — | EP | disclosed |
| WO-2015158206-A1 | C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF | 上海迪诺医药科技有限公司 | 2015-10-22 | — | — | WO | disclosed |