Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | G6PD | P11413 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CCR6 | P51684 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11409379 | 1.00 | KDM4E (0.42) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5386070 | 0.91 | KDM4E (0.48) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28149229 | 0.88 | MAPT (0.39) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19453318 | 0.80 | MAPT (0.38) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15267966 | 0.80 | TSHR (0.41) | ALDH1A1CYP3A4MAPTHPGDALOX15 | |
| SCHEMBL713770 | 0.79 | CYP3A4 (0.35) | CYP3A4MAPK1TP53TDP1TSHR | |
| SCHEMBL30208514 | 0.79 | CYP3A4 (0.35) | CYP3A4MAPK1TP53TDP1TSHR | |
| SCHEMBL7942019 | 0.79 | TP53 (0.35) | ALDH1A1TP53TDP1 | |
| SCHEMBL22340276 | 0.77 | ALDH1A1 (0.35) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19671980 | 0.76 | ALDH1A1 (0.42) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |