Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | INPPL1 | O15357 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.39 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29344255 | 1.00 | MEN1 (0.39) | MEN1ALDH1A1KMT2AKDM4EINPPL1 | |
| SCHEMBL25916103 | 0.71 | ALDH1A1 (0.33) | MEN1ALDH1A1KMT2ATP53HPGD | |
| SCHEMBL29937420 | 0.71 | CYP1A2 (0.39) | MEN1ALDH1A1KMT2ACYP3A4GAA | |
| SCHEMBL25323401 | 0.71 | HSD17B10 (0.39) | MEN1ALDH1A1KMT2AKDM4EINPPL1 | |
| SCHEMBL23043140 | 0.71 | CYP1A2 (0.39) | MEN1ALDH1A1KMT2ACYP3A4GAA | |
| SCHEMBL28672182 | 0.69 | PDPK1 (0.38) | MEN1ALDH1A1KMT2AKDM4EINPPL1 | |
| SCHEMBL17744677 | 0.69 | HPGD (0.32) | ALDH1A1CYP3A4HPGDALOX15HSD17B10 | |
| SCHEMBL13853054 | 0.68 | DAO (0.44) | MEN1ALDH1A1KMT2AKDM4EINPPL1 | |
| SCHEMBL31049123 | 0.68 | NQO2 (0.47) | MEN1ALDH1A1KMT2AKDM4EINPPL1 | |
| SCHEMBL28736688 | 0.67 | ALDH1A1 (0.43) | MEN1ALDH1A1KMT2AKDM4ECYP3A4 |
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 |