Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | AGER | Q15109 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5902495 | 0.80 | PARP1 (0.50) | PARP1MAPTHTTKDM4EALDH1A1 | |
| SCHEMBL15401439 | 0.80 | ALDH1A1 (0.48) | PARP1MAPTHTTKDM4EALDH1A1 | |
| SCHEMBL7452418 | 0.79 | KDM4E (0.49) | PARP1MAPTHTTKDM4EALDH1A1 | |
| SCHEMBL27496344 | 0.78 | PRKCI (0.58) | PARP1KDM4ELMNASMN1; SMN2P2RX7 | |
| SCHEMBL31513532 | 0.77 | PARP1 (0.58) | PARP1MAPTHTTKDM4EALDH1A1 | |
| SCHEMBL773980 | 0.77 | PARP1 (0.58) | PARP1MAPTHTTKDM4EALDH1A1 | |
| SCHEMBL3634145 | 0.76 | SMN1; SMN2 (0.41) | PARP1MAPTKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL7451831 | 0.75 | KDM4E (0.46) | PARP1MAPTHTTKDM4EALDH1A1 | |
| SCHEMBL7452205 | 0.75 | KDM4E (0.52) | PARP1MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL28276095 | 0.75 | PRKCI (0.63) | MAPTHTTKDM4EALDH1A1HPGD |
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-110452234-B | Schiff base derivative containing trifluoromethyl pyridine dicarboxamide and application thereof | 贵州大学 | 2022-09-23 | — | — | CN | claimed |
| CN-110452234-B | Schiff base derivative containing trifluoromethyl pyridine dicarboxamide and application thereof | 贵州大学 | 2022-09-23 | — | — | CN | disclosed |
| CN-110452234-B | Schiff base derivative containing trifluoromethyl pyridine dicarboxamide and application thereof | 贵州大学 | 2022-09-23 | — | — | CN | disclosed |
| CN-110452234-B | Schiff base derivative containing trifluoromethyl pyridine dicarboxamide and application thereof | 贵州大学 | 2022-09-23 | — | — | CN | disclosed |