Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.42 |
| ▸ | MPO | P05164 | 7/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | PCSK9 | Q8NBP7 | 2/20 | 0.31 |
| ▸ | TNF | P01375 | 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 | |
|---|---|---|---|---|
| SCHEMBL5387311 | 0.87 | HTR1A (0.48) | HTR1AGPR84MPOSLC6A4 | |
| SCHEMBL5398443 | 0.80 | HTR1A (0.42) | HTR1AGPR84MPOSLC6A4TNF | |
| SCHEMBL5392766 | 0.79 | HTR1A (0.38) | HTR1AGPR84MPOSLC6A4RIPK1 | |
| SCHEMBL30457622 | 0.73 | HTR1A (0.33) | HTR1AGPR84 | |
| SCHEMBL20576934 | 0.73 | ALDH1A1 (0.35) | HTR1AGPR84RIPK1TNF | |
| SCHEMBL19216724 | 0.73 | HTR1A (0.36) | HTR1AGPR84 | |
| SCHEMBL14663023 | 0.69 | CYP2A6 (0.51) | HTR1A | |
| SCHEMBL31663177 | 0.69 | HTR2A (0.32) | — | |
| SCHEMBL29953964 | 0.69 | CYP2A6 (0.51) | HTR1A | |
| SCHEMBL25381397 | 0.68 | CYP2A6 (0.50) | HTR1AGPR84FFAR1 |
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-3202766-B1 | ISOXAZOLE DERIVATIVE AS MUTATED ISOCITRATE DEHYDROGENASE 1 INHIBITOR | DAIICHI SANKYO CO LTD (JP) | 2019-12-25 | — | — | EP | disclosed |