Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 4/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | PRNP | P04156 | 1/20 | 0.33 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL26615963 | 1.00 | NQO2 (0.36) | NQO2DHODHCFTRHTTNPSR1 | |
| SCHEMBL26615783 | 0.77 | HTT (0.33) | DHODHCFTRHTTHPGDNOTUM | |
| SCHEMBL31440810 | 0.77 | HTT (0.33) | DHODHCFTRHTTHPGDNOTUM | |
| SCHEMBL1201473 | 0.74 | NQO2 (0.48) | NQO2HTTNPSR1LMNAHPGD | |
| SCHEMBL31128303 | 0.74 | NQO2 (0.39) | NQO2HTTNPSR1LMNAHPGD | |
| SCHEMBL30186062 | 0.73 | NQO2 (0.42) | NQO2HTTNPSR1LMNAHPGD | |
| SCHEMBL15195556 | 0.73 | NQO2 (0.42) | NQO2HTTNPSR1LMNAHPGD | |
| SCHEMBL26738670 | 0.72 | TDP1 (0.38) | DHODHCFTRHTTHPGDHSP90AA1 | |
| SCHEMBL31128300 | 0.71 | GABRA1 (0.42) | NQO2HTTNPSR1LMNAHPGD | |
| SCHEMBL31128313 | 0.69 | NQO2 (0.39) | NQO2HTTNPSR1LMNAHPGD |
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 3 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 |
| EP-4511116-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | Vertex Pharmaceuticals Incorporated (US) | 2025-02-26 | — | — | EP | disclosed |
| WO-2023205463-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | disclosed |