Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
| ▸ | S100A4 | P26447 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TDP2 | O95551 | 1/20 | 0.31 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.31 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.30 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.30 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.30 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28507925 | 0.86 | PBRM1 (0.46) | TYMSCYP19A1PBRM1CRBN | |
| SCHEMBL28507112 | 0.85 | ACHE (0.43) | PARP10PARP1TYMSSRD5A1DDB1 | |
| SCHEMBL28507951 | 0.84 | ACHE (0.43) | PARP10PARP1TYMSMETAP1PARP11 | |
| SCHEMBL28501370 | 0.84 | TDP2 (0.33) | TYMSPNMTTDP2SRD5A1 | |
| SCHEMBL28508889 | 0.84 | F7 (0.39) | PARP10PARP1TYMSPNMTMETAP1 | |
| SCHEMBL28496512 | 0.84 | DRD2 (0.35) | TYMSDDB1CRBN | |
| SCHEMBL28504434 | 0.82 | PARP1 (0.35) | PARP10L3MBTL1PARP1CYP19A1SRD5A1 | |
| SCHEMBL28498301 | 0.81 | TYRO3 (0.39) | PARP10L3MBTL1TDP2PARP11 | |
| SCHEMBL28501373 | 0.81 | CYP19A1 (0.47) | CYP19A1METAP1 | |
| SCHEMBL28500637 | 0.80 | CYP19A1 (0.42) | TDP1CYP19A1 |
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 |