Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.52 |
| ▸ | NOS2 | P35228 | 2/20 | 0.52 |
| ▸ | NOS1 | P29475 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 4/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.42 |
| ▸ | GABRE | P78334 | 1/20 | 0.42 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14108794 | 1.00 | NOS3 (0.52) | NOS3NOS2NOS1KMT2AKDM4E | |
| Formic Acid SCHEMBL31491006 | 0.89 | GABRP (0.43) | NOS3NOS2NOS1KMT2AKDM4E | |
| Trifluoroacetic Acid SCHEMBL31491015 | 0.88 | GABRP (0.50) | NOS3NOS2NOS1KMT2AKDM4E | |
| Trifluoroacetic Acid SCHEMBL31491055 | 0.82 | CXCR4 (0.46) | NOS3NOS2NOS1KMT2AKDM4E | |
| SCHEMBL12019749 | 0.80 | NOS2 (0.54) | NOS3NOS2NOS1KMT2AKDM4E | |
| SCHEMBL16256879 | 0.78 | CYP11B1 (0.37) | KMT2AKDM4EALDH1A1 | |
| SCHEMBL13865687 | 0.77 | RAB9A (0.39) | KMT2AALDH1A1BACE1HSP90AA1HSP90AB1 | |
| SCHEMBL11272404 | 0.76 | KDM4E (0.46) | NOS3NOS2NOS1KMT2AKDM4E | |
| SCHEMBL21139679 | 0.76 | KDM4E (0.42) | KMT2AKDM4EALDH1A1HSP90AA1HSP90AB1 | |
| SCHEMBL14108777 | 0.75 | NOS3 (0.48) | NOS3NOS2NOS1KMT2AKDM4E |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-122029167-A | Condensed heteroaryl compound, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2026-05-12 | — | — | CN | disclosed |
| EP-4716531-A2 | HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS | Board of Regents, The University of Texas System (US) | 2026-04-01 | — | — | EP | disclosed |
| WO-2025217430-A1 | HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2025-10-16 | — | — | WO | disclosed |
| CN-119855815-A | KRAS mutant protein inhibitor, and preparation method and application thereof | 甘李药业股份有限公司 | 2025-04-18 | — | — | CN | disclosed |
| WO-2025049274-A2 | TETRACYCLIC DERIVATIVES, COMPOSITIONS AND METHODS THEREOF | ENSEM THERAPEUTICS, INC. (US) | 2025-03-06 | — | — | WO | disclosed |
| CN-119365465-A | Condensed ring compound, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2025-01-24 | — | — | CN | disclosed |
| CN-119365467-A | Aza-tetraepoxy aza compounds and uses thereof | 基因泰克公司 | 2025-01-24 | — | — | CN | disclosed |
| CN-119317628-A | Substituted bridged ring inhibitors and preparation method and application thereof | 苏州泽璟生物制药股份有限公司 | 2025-01-14 | — | — | CN | disclosed |
| WO-2024243186-A2 | HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2024-11-28 | — | — | WO | disclosed |
| 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 |