Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | VRK1 | Q99986 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29344241 | 1.00 | AKR1B1 (0.38) | AKR1B1KDM1APTPN1HDAC1HDAC6 | |
| SCHEMBL5506992 | 0.75 | CA1 (0.36) | HDAC1HDAC6CA1CA2VRK1 | |
| SCHEMBL28192070 | 0.75 | CA1 (0.36) | KDM1AHDAC1HDAC6KDM1BCA1 | |
| SCHEMBL31507839 | 0.75 | AKR1B1 (0.41) | AKR1B1KDM1APTPN1KDM1BCA1 | |
| SCHEMBL18614485 | 0.74 | CA1 (0.35) | AKR1B1KDM1AHDAC1HDAC6KDM1B | |
| SCHEMBL23899944 | 0.71 | AKR1B1 (0.38) | AKR1B1PTPN1CA1CA2CA4 | |
| SCHEMBL26981490 | 0.71 | KDM1A (0.33) | KDM1AHDAC1HDAC6KDM1BCA1 | |
| SCHEMBL14576957 | 0.71 | CA1 (0.33) | AKR1B1KDM1AHDAC1HDAC6KDM1B | |
| SCHEMBL17797154 | 0.70 | CA1 (0.48) | AKR1B1KDM1AHDAC1HDAC6KDM1B | |
| SCHEMBL11591491 | 0.70 | VRK1 (0.38) | HDAC1HDAC6VRK1ERN1 |
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-4322954-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | Merck Sharp & Dohme LLC (US) | 2024-02-21 | — | — | EP | disclosed |
| WO-2022221739-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-10-20 | — | — | WO | disclosed |