Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 9/20 | 0.37 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.33 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.33 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.33 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.33 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.33 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29444732 | 1.00 | HTR1A (0.43) | HTR1ASIRT2F2RL3CA2CA1 | |
| SCHEMBL28719850 | 1.00 | HTR1A (0.43) | HTR1ASIRT2F2RL3CA2CA1 | |
| SCHEMBL13534191 | 0.83 | HTR1A (0.43) | HTR1AF2RL3CA2CA1PRKAB2 | |
| SCHEMBL15864981 | 0.82 | HTR1A (0.47) | HTR1AF2RL3CA2CA1PRKAB2 | |
| SCHEMBL15864979 | 0.82 | HTR1A (0.47) | HTR1AF2RL3CA2CA1PRKAB2 | |
| SCHEMBL1019535 | 0.79 | HTR1A (0.36) | HTR1ASIRT2F2RL3CA2PRKAB2 | |
| SCHEMBL13533161 | 0.78 | HTR1A (0.41) | HTR1AF2RL3CA2CA1PRKAB2 | |
| SCHEMBL7612275 | 0.76 | HTR1A (0.40) | HTR1AF2RL3CA2CA1PRKAB2 | |
| SCHEMBL7619660 | 0.76 | HTR1A (0.40) | HTR1AF2RL3CA2CA1PRKAB2 | |
| SCHEMBL7617384 | 0.76 | HTR1A (0.40) | HTR1AF2RL3CA2CA1PRKAB2 |
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-110092774-B | Aromatic propionic acid derivative, preparation method and application thereof | 中国科学院上海药物研究所 | 2022-04-08 | — | — | CN | disclosed |