Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 2/20 | 0.41 |
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
| ▸ | S100A9 | P06702 | 4/20 | 0.34 |
| ▸ | CCR4 | P51679 | 9/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL18613842 | 0.84 | PRKDC (0.38) | ERN1PRKDCS100A9CCR4LMNA | |
| SCHEMBL31087530 | 0.75 | LMNA (0.41) | ERN1PRKDCLMNAALDH1A1HPGD | |
| SCHEMBL22542733 | 0.75 | LMNA (0.41) | ERN1PRKDCLMNAALDH1A1HPGD | |
| SCHEMBL25344432 | 0.73 | CA1 (0.46) | CA12CA1CA2CA9MAPT | |
| SCHEMBL21634877 | 0.72 | GAA (0.32) | CA2MAPT | |
| SCHEMBL25335302 | 0.71 | PRKDC (0.37) | ERN1PRKDCS100A9CCR4LMNA | |
| SCHEMBL22448808 | 0.71 | ALOX5 (0.35) | ERN1CA2ALDH1A1MAPT | |
| SCHEMBL14853026 | 0.71 | MAPT (0.39) | CA2ALDH1A1MAPTHPGDL3MBTL1 | |
| SCHEMBL1369023 | 0.70 | ALDH1A1 (0.43) | PRKDCS100A9LMNAALDH1A1MAPT | |
| SCHEMBL29723697 | 0.70 | ALDH1A1 (0.43) | PRKDCS100A9LMNAALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-4472739-A1 | IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2024-12-11 | — | — | EP | disclosed |
| WO-2023205463-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | disclosed |
| WO-2023148129-A1 | IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2023-08-10 | — | — | WO | disclosed |