Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23602021 | 0.84 | KDM4E (0.48) | ALDH1A1HCRTR1HCRTR2TSHRESR2 | |
| SCHEMBL31336130 | 0.84 | KDM4E (0.48) | ALDH1A1HCRTR1HCRTR2TSHRESR2 | |
| SCHEMBL29764171 | 0.84 | KDM4E (0.48) | ALDH1A1HCRTR1HCRTR2TSHRESR2 | |
| SCHEMBL6483851 | 0.76 | TLR8 (0.45) | — | |
| SCHEMBL23578715 | 0.73 | HTR2A (0.46) | ALDH1A1TSHRESR2GFERHTR2A | |
| SCHEMBL6971671 | 0.71 | HTR2A (0.45) | ALDH1A1TSHRTRPV1HTR2AHTR2C | |
| SCHEMBL26086786 | 0.70 | HCRTR2 (0.43) | ALDH1A1HCRTR1HCRTR2TSHRKDM4E | |
| SCHEMBL26089752 | 0.70 | HCRTR2 (0.43) | ALDH1A1HCRTR1HCRTR2TSHRKDM4E | |
| SCHEMBL23602022 | 0.69 | MAP4K4 (0.53) | HCRTR1HCRTR2TRPV1HTR2AHTR2C | |
| SCHEMBL26088631 | 0.68 | HCAR2 (0.68) | ALDH1A1HCRTR1HCRTR2MAPTHTT |
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-114846015-A | Substituted heteroaryl compounds useful as T cell activators | 百时美施贵宝公司 | 2022-08-02 | — | — | CN | disclosed |