Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | ACACB | O00763 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PLK1 | P53350 | 7/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | RARG | P13631 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16198925 | 0.83 | HDAC2 (0.61) | HDAC6HDAC2HDAC8ACACBHTT | |
| SCHEMBL28610694 | 0.80 | ACACB (0.43) | HDAC6ACACBHPGDSMN1; SMN2LMNA | |
| SCHEMBL4491505 | 0.79 | PTPN11 (0.53) | HTTHPGDTSHRLMNAL3MBTL1 | |
| SCHEMBL25558979 | 0.79 | ACACB (0.52) | HDAC6HDAC2HDAC8ACACBHTT | |
| SCHEMBL18472972 | 0.78 | HDAC2 (0.55) | HDAC6HDAC2HDAC8ACACBHTT | |
| SCHEMBL4491026 | 0.78 | RARB (0.55) | ACACBHPGDTSHRSMN1; SMN2CA2 | |
| SCHEMBL24230200 | 0.77 | MMP13 (0.62) | HDAC6HDAC2HDAC8ACACBHTT | |
| SCHEMBL29877145 | 0.77 | PARP10 (0.43) | TSHRGRM5L3MBTL1CA2RARB | |
| SCHEMBL22741083 | 0.75 | HTT (0.38) | HTTLMNAL3MBTL1RARBRARG | |
| SCHEMBL250247 | 0.74 | HDAC6 (0.80) | HDAC6HDAC2HDAC8HTTHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4551578-A1 | MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2025-05-14 | — | — | EP | claimed |
| WO-2024008610-A1 | MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2024-01-11 | — | — | WO | claimed |
| EP-4551578-A1 | MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2025-05-14 | — | — | EP | disclosed |
| WO-2024008610-A1 | MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2024-01-11 | — | — | WO | disclosed |