Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SQSTM1 | Q13501 | 1/20 | 0.69 |
| ▸ | RNF168 | Q8IYW5 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | STIM1 | Q13586 | 5/20 | 0.43 |
| ▸ | ORAI1 | Q96D31 | 5/20 | 0.43 |
| ▸ | KATNA1 | O75449 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28707826 | 0.89 | SQSTM1 (0.64) | SQSTM1RNF168STIM1ORAI1KATNA1 | |
| SCHEMBL28714921 | 0.82 | SQSTM1 (1.00) | SQSTM1RNF168DHFRSTIM1ORAI1 | |
| SCHEMBL4755097 | 0.70 | TYMS (0.44) | DHFRKMT2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL19126482 | 0.70 | SQSTM1 (0.45) | SQSTM1STIM1ORAI1CYP1B1KDM4E | |
| SCHEMBL28704210 | 0.70 | SQSTM1 (0.78) | SQSTM1DHFRSTIM1ORAI1CYP1B1 | |
| SCHEMBL28713001 | 0.67 | SQSTM1 (0.73) | SQSTM1DHFRSTIM1ORAI1CYP1B1 | |
| SCHEMBL28721769 | 0.67 | SQSTM1 (0.74) | SQSTM1DHFRSTIM1ORAI1CYP1B1 | |
| SCHEMBL14072478 | 0.67 | KDM4E (0.56) | KMT2AKDM4EMEN1ALDH1A1POLB | |
| SCHEMBL20393728 | 0.67 | SQSTM1 (0.51) | SQSTM1CYP1B1KDM4EALDH1A1MAPT | |
| SCHEMBL12497434 | 0.66 | CYP1B1 (0.55) | SQSTM1STIM1ORAI1CYP1B1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114230557-B | Quinazoline-substituted 1,2,3-triazole derivative, and pharmaceutical composition, preparation method and application thereof | 深圳大学 | 2023-01-06 | — | — | CN | disclosed |
| CN-114230557-A | Quinazoline-substituted 1,2, 3-triazole derivative, and pharmaceutical composition, preparation method and application thereof | 深圳大学 | 2022-03-25 | — | — | CN | disclosed |