Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.72 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.72 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | AHR | P35869 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 2/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | DAO | P14920 | 2/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6564751 | 1.00 | CYP1A2 (0.72) | CYP1A2CYP2A6BACE1AHRCYP19A1 | |
| SCHEMBL11303205 | 0.90 | CYP1A2 (0.68) | CYP1A2CYP2A6BACE1AHRCYP19A1 | |
| SCHEMBL3828830 | 0.90 | CYP1A2 (0.68) | CYP1A2CYP2A6BACE1AHRCYP19A1 | |
| SCHEMBL30366405 | 0.89 | CYP1A2 (0.77) | CYP1A2CYP2A6BACE1AHRCASP3 | |
| SCHEMBL6562601 | 0.89 | CYP1A2 (0.77) | CYP1A2CYP2A6BACE1AHRCASP3 | |
| SCHEMBL8563678 | 0.84 | CYP1A2 (0.62) | CYP1A2CYP2A6BACE1AHRCYP19A1 | |
| SCHEMBL935337 | 0.84 | CYP2A6 (1.00) | CYP1A2CYP2A6BACE1CASP3SENP8 | |
| SCHEMBL29937325 | 0.84 | CYP2A6 (1.00) | CYP1A2CYP2A6BACE1CASP3SENP8 | |
| SCHEMBL18087081 | 0.84 | CYP2A6 (1.00) | CYP1A2CYP2A6BACE1CASP3SENP8 | |
| SCHEMBL29420986 | 0.84 | CYP2A6 (1.00) | CYP1A2CYP2A6BACE1CASP3SENP8 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115991815-B | Halogenated modified prepared photoresist resin material and preparation method thereof | 中国科学院长春应用化学研究所 | 2025-03-07 | — | — | CN | disclosed |
| EP-4322954-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | Merck Sharp & Dohme LLC (US) | 2024-02-21 | — | — | EP | disclosed |
| CN-116419937-A | Composition for forming resist underlayer film | 日产化学株式会社 | 2023-07-11 | — | — | CN | disclosed |
| CN-115991815-A | Halogenated modified prepared photoresist resin material and preparation method thereof | 中国科学院长春应用化学研究所 | 2023-04-21 | — | — | CN | disclosed |
| WO-2022221739-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-10-20 | — | — | WO | disclosed |