Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | STAT3 | P40763 | 2/20 | 0.46 |
| ▸ | MBNL1 | Q9NR56 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL789653 | 1.00 | ALDH1A1 (0.48) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL16488132 | 0.80 | ALDH1A1 (0.60) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL29955400 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL115832 | 0.78 | KMT2A (0.50) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL29955947 | 0.78 | KMT2A (0.50) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL1670726 | 0.77 | KMT2A (0.41) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL25216907 | 0.76 | HPGD (0.46) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL2074966 | 0.76 | ALDH1A1 (0.46) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL29955290 | 0.76 | ALDH1A1 (0.46) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL22734339 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119677737-A | Heteroaryl compounds for the treatment of pain | 沃泰克斯药物股份有限公司 | 2025-03-21 | — | — | CN | disclosed |
| CN-119546580-A | Heteroaryl compounds for the treatment of pain | 沃泰克斯药物股份有限公司 | 2025-02-28 | — | — | CN | disclosed |
| EP-4511114-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | Vertex Pharmaceuticals Incorporated (US) | 2025-02-26 | — | — | EP | disclosed |
| WO-2023205778-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |