Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 5/20 | 0.36 |
| ▸ | TYMS | P04818 | 2/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 3/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28508889 | 0.85 | F7 (0.39) | PARP1PARP10SRD5A1TYMSHTR2A | |
| SCHEMBL28507925 | 0.85 | PBRM1 (0.46) | TYMSAKR1B1DRD2CRBN | |
| SCHEMBL28507951 | 0.85 | ACHE (0.43) | ACHEPARP1PARP10SRD5A1TYMS | |
| SCHEMBL28496512 | 0.85 | DRD2 (0.35) | TYMSDRD2HTR2ADDB1CRBN | |
| SCHEMBL28905422 | 0.85 | PARP10 (0.39) | PARP1PARP10SRD5A1TYMSDDB1 | |
| SCHEMBL28501370 | 0.85 | TDP2 (0.33) | SRD5A1TYMS | |
| SCHEMBL28504434 | 0.83 | PARP1 (0.35) | PARP1PARP10SRD5A1DRD2HTR2A | |
| SCHEMBL28498296 | 0.82 | ALDH1A1 (0.33) | DRD2HTR2AHTR2CHTR2BSIGMAR1 | |
| SCHEMBL28498134 | 0.82 | HPGD (0.36) | — | |
| SCHEMBL28500637 | 0.81 | CYP19A1 (0.42) | ACHEDRD2HTR2AHTR2CHTR2B |
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-110003187-B | Polyfluoroalkyl substituted benzofuran compound and preparation method thereof | 南京工业大学 | 2021-11-05 | — | — | CN | claimed |
| CN-112159411-A | Trifluoromethyl substituted pyrimido [1,3] diaza compound and preparation method thereof | 南京工业大学 | 2021-01-01 | — | — | CN | claimed |
| CN-110003187-B | Polyfluoroalkyl substituted benzofuran compound and preparation method thereof | 南京工业大学 | 2021-11-05 | — | — | CN | disclosed |
| CN-112159411-A | Trifluoromethyl substituted pyrimido [1,3] diaza compound and preparation method thereof | 南京工业大学 | 2021-01-01 | — | — | CN | disclosed |