Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 12/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL29690490 | 0.80 | NCF1 (0.64) | NCF1BACE1ACHEHTR3AKDM4E | |
| SCHEMBL323374 | 0.80 | NCF1 (0.64) | NCF1BACE1ACHEHTR3AKDM4E | |
| SCHEMBL28605523 | 0.75 | ALDH1A1 (0.57) | NCF1BACE1KDM4EALDH1A1GLA | |
| Aniline SCHEMBL28079399 | 0.73 | TSHR (0.46) | KDM4EALDH1A1GLAHPGDSMN1; SMN2 | |
| Aniline SCHEMBL28243493 | 0.73 | TSHR (0.46) | KDM4EALDH1A1GLAHPGDSMN1; SMN2 | |
| Phenanthrene SCHEMBL28996800 | 0.72 | HSD17B10 (0.48) | KDM4EALDH1A1GLAHPGDSMN1; SMN2 | |
| Anthracene SCHEMBL28098786 | 0.71 | ALDH1A1 (0.36) | ACHEALDH1A1GLAHPGDCASP1 | |
| Naphthalene SCHEMBL27552802 | 0.71 | CYP2A6 (0.38) | — | |
| Naphthalene SCHEMBL19066813 | 0.71 | CYP2A6 (0.38) | — | |
| SCHEMBL28732577 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106083742-A | A kind of 2,4 2 amido quinazoline derivants and its preparation method and application | 广东工业大学 | 2016-11-09 | — | — | CN | disclosed |