Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | DHFR | P00374 | 4/20 | 0.47 |
| ▸ | CSF1R | P07333 | 2/20 | 0.46 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.46 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30998660 | 0.88 | ALDH1A1 (0.48) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL28996034 | 0.88 | ALDH1A1 (0.56) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL29687392 | 0.88 | ALDH1A1 (0.56) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL28515732 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL23045757 | 0.80 | ALDH1A1 (0.58) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL29433996 | 0.80 | ALDH1A1 (0.58) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL28729752 | 0.80 | ALDH1A1 (0.58) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| Ammonia Solution, Strong SCHEMBL25279198 | 0.79 | ALDH1A1 (0.56) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL28039300 | 0.79 | DHFR (0.57) | ALDH1A1CYP2D6ATMLMNADHFR | |
| Hydrochloric Acid SCHEMBL7522555 | 0.78 | ALDH1A1 (0.68) | ALDH1A1CYP2D6ATMNPSR1LMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4499639-A1 | HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | BeiGene, Ltd. (KY) | 2025-02-05 | — | — | EP | disclosed |
| CN-118900838-A | Heterocyclic compounds, compositions thereof and methods of treatment thereof | 百济神州有限公司 | 2024-11-05 | — | — | CN | disclosed |
| EP-4322954-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | Merck Sharp & Dohme LLC (US) | 2024-02-21 | — | — | EP | disclosed |
| CN-117242074-A | KRAS G12D inhibitors | 百时美施贵宝公司 | 2023-12-15 | — | — | CN | disclosed |
| WO-2023179703-A1 | HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | BEIGENE , LTD. (KY) | 2023-09-28 | — | — | WO | disclosed |
| WO-2022221739-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-10-20 | — | — | WO | disclosed |