Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.69 |
| ▸ | MEN1 | O00255 | 2/20 | 0.69 |
| ▸ | MAPT | P10636 | 1/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | MMP1 | P03956 | 2/20 | 0.56 |
| ▸ | MMP12 | P39900 | 1/20 | 0.56 |
| ▸ | FABP7 | O15540 | 1/20 | 0.54 |
| ▸ | FABP3 | P05413 | 1/20 | 0.54 |
| ▸ | MMP2 | P08253 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | PPARG | P37231 | 3/20 | 0.50 |
| ▸ | PPARA | Q07869 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | FAAH | O00519 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL1131780 | 1.00 | KMT2A (0.69) | KMT2AMEN1MAPTTDP1PTPN7 | |
| SCHEMBL1563903 | 1.00 | KMT2A (0.69) | KMT2AMEN1MAPTTDP1PTPN7 | |
| SCHEMBL27449086 | 0.98 | KMT2A (0.67) | KMT2AMEN1MAPTTDP1PTPN7 | |
| SCHEMBL8586052 | 0.94 | KMT2A (0.61) | KMT2AMEN1MAPTTDP1PTPN7 | |
| SCHEMBL9230269 | 0.94 | KMT2A (0.61) | KMT2AMEN1MAPTTDP1PTPN7 | |
| SCHEMBL4423206 | 0.91 | KMT2A (0.57) | KMT2AMEN1MAPTTDP1PTPN7 | |
| SCHEMBL809274 | 0.91 | KMT2A (0.55) | KMT2AMEN1MAPTTDP1PTPN7 | |
| SCHEMBL11298874 | 0.86 | KMT2A (0.52) | KMT2AMEN1MAPTTDP1PTPN7 | |
| SCHEMBL30439313 | 0.85 | KMT2A (0.61) | KMT2AMEN1MAPTTDP1ALDH1A1 | |
| SCHEMBL338523 | 0.85 | KMT2A (0.61) | KMT2AMEN1MAPTTDP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116041359-B | Seven-membered indole spiro heterocyclic chiral derivative constructed by palladium catalysis | 成都大学 | 2025-03-04 | — | — | CN | disclosed |
| EP-4322954-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | Merck Sharp & Dohme LLC (US) | 2024-02-21 | — | — | EP | disclosed |
| CN-116041359-A | Seven-membered indole spiro heterocyclic chiral derivative constructed by palladium catalysis | 成都大学 | 2023-05-02 | — | — | CN | disclosed |
| WO-2022221739-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-10-20 | — | — | WO | disclosed |