Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 5/20 | 0.38 |
| ▸ | DRD4 | P21917 | 5/20 | 0.38 |
| ▸ | HTR1B | P28222 | 5/20 | 0.38 |
| ▸ | DRD3 | P35462 | 4/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.32 |
| ▸ | ICMT | O60725 | 4/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL20604926 | 0.88 | DRD2 (0.39) | DRD2HTR2AHTR1ADRD4HTR1B | |
| SCHEMBL20604886 | 0.85 | DRD2 (0.38) | DRD2HTR2AHTR1ADRD4HTR1B | |
| SCHEMBL20604786 | 0.84 | DRD2 (0.43) | DRD2HTR2AHTR1ADRD4HTR1B | |
| SCHEMBL20604925 | 0.83 | HTR1A (0.42) | DRD2HTR2AHTR1ADRD4HTR1B | |
| SCHEMBL20604875 | 0.82 | DRD2 (0.36) | DRD2HTR2AHTR1ADRD4HTR1B | |
| SCHEMBL20604923 | 0.82 | HTR1A (0.44) | DRD2HTR2AHTR1ADRD4HTR1B | |
| SCHEMBL20605024 | 0.82 | GRIN2B (0.41) | — | |
| SCHEMBL31300847 | 0.80 | DRD2 (0.35) | DRD2HTR2AHTR1ADRD4HTR1B | |
| SCHEMBL20605123 | 0.80 | DRD2 (0.35) | DRD2HTR2AHTR1ADRD4HTR1B | |
| SCHEMBL20604943 | 0.79 | GRIN2B (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3423435-A1 | SUBSTITUTED INDOLE MCL-1 INHIBITORS | Vanderbilt University (US) | 2019-01-09 | — | — | EP | disclosed |