Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 3/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 10/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | HSD17B4 | P51659 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24894117 | 1.00 | KEAP1 (0.45) | KEAP1NFE2L2KMT2AHTTMEN1 | |
| SCHEMBL24893849 | 1.00 | KEAP1 (0.45) | KEAP1NFE2L2KMT2AHTTMEN1 | |
| SCHEMBL24893858 | 0.81 | TMEM97 (0.41) | HTTALDH1A1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL11285034 | 0.81 | KEAP1 (0.49) | KEAP1NFE2L2KMT2AHTTMEN1 | |
| SCHEMBL27559442 | 0.79 | PTGS2 (0.50) | KEAP1NFE2L2KMT2AHTTMEN1 | |
| SCHEMBL14798252 | 0.77 | CYP2D6 (0.46) | CYP2D6 | |
| SCHEMBL1932498 | 0.77 | CYP2D6 (0.46) | CYP2D6 | |
| SCHEMBL29111695 | 0.76 | PTGS2 (0.50) | KEAP1NFE2L2KMT2AHTTMEN1 | |
| SCHEMBL14798287 | 0.76 | CYP2D6 (0.41) | HTTALDH1A1CYP2D6 | |
| SCHEMBL13471793 | 0.76 | AKR1C3 (0.46) | KEAP1NFE2L2ALDH1A1CYP2D6LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023284860-A1 | 3-PHENYLPROPIONIC ACID COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL APPLICATION THEREOF | 江苏恒瑞医药股份有限公司 | 2023-01-19 | — | — | WO | disclosed |