Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL619546 | 0.97 | ALDH1A1 (0.53) | ALDH1A1CRHBPCRHR2EGFRMAOA | |
| SCHEMBL21382696 | 0.94 | ALDH1A1 (0.50) | ALDH1A1EGFRMAOAKMOMAPK1 | |
| SCHEMBL2450702 | 0.94 | ALDH1A1 (0.50) | ALDH1A1EGFRMAOAKMOMAPK1 | |
| SCHEMBL2448958 | 0.92 | MAOA (0.48) | ALDH1A1MAOAKMOCYP3A4ALOX5 | |
| SCHEMBL11972953 | 0.87 | ALDH1A1 (0.43) | ALDH1A1CRHBPCRHR2EGFRMAOA | |
| SCHEMBL11972750 | 0.85 | ALDH1A1 (0.41) | ALDH1A1CRHBPCRHR2EGFRMAOA | |
| SCHEMBL21647914 | 0.84 | CYP1A2 (0.65) | ALDH1A1CYP1A2ALOX5KDM4EHTT | |
| SCHEMBL22092335 | 0.84 | ALDH1A1 (0.65) | ALDH1A1CRHBPCRHR2MAPK1CYP1A2 | |
| SCHEMBL9958311 | 0.84 | NOTUM (0.65) | HSD17B10NOTUMKMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL6822841 | 0.82 | CYP1A2 (0.50) | ALDH1A1MAOACYP1A2TAAR1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117603088-A | Aromatic aldehyde Schiff base based on amino acid ethyl ester and application thereof in asymmetric alkylation | 广东工业大学 | 2024-02-27 | — | — | CN | claimed |
| CN-114768866-B | Chiral deuterated Maruoka phase transfer catalyst, preparation method thereof and application thereof in asymmetric catalytic reaction | 广东工业大学 | 2023-10-17 | — | — | CN | claimed |
| CN-114768866-A | Chiral deuterated Maruoka phase transfer catalyst, preparation method thereof and application thereof in asymmetric catalytic reaction | 广东工业大学 | 2022-07-22 | — | — | CN | claimed |
| CN-117603088-A | Aromatic aldehyde Schiff base based on amino acid ethyl ester and application thereof in asymmetric alkylation | 广东工业大学 | 2024-02-27 | — | — | CN | disclosed |
| CN-114768866-B | Chiral deuterated Maruoka phase transfer catalyst, preparation method thereof and application thereof in asymmetric catalytic reaction | 广东工业大学 | 2023-10-17 | — | — | CN | disclosed |
| CN-114768866-A | Chiral deuterated Maruoka phase transfer catalyst, preparation method thereof and application thereof in asymmetric catalytic reaction | 广东工业大学 | 2022-07-22 | — | — | CN | disclosed |