Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15216487 | 1.00 | FBP1 (0.50) | FBP1TDP1TP53NPC1CASP3 | |
| SCHEMBL7922822 | 0.80 | FBP1 (0.49) | FBP1TDP1NPC1PTGS1PTGS2 | |
| SCHEMBL15216495 | 0.80 | FBP1 (0.49) | FBP1TDP1NPC1PTGS1PTGS2 | |
| SCHEMBL4711176 | 0.80 | FBP1 (0.49) | FBP1TDP1TSHRMAOAMAOB | |
| SCHEMBL15216509 | 0.80 | FBP1 (0.49) | FBP1TDP1NPC1RELAHSP90AA1 | |
| SCHEMBL6260317 | 0.78 | TDP1 (0.59) | FBP1TDP1TSHRALDH1A1MAPT | |
| SCHEMBL267779 | 0.78 | TDP1 (0.59) | FBP1TDP1TSHRALDH1A1MAPT | |
| SCHEMBL244830 | 0.78 | TDP1 (0.59) | FBP1TDP1TSHRALDH1A1MAPT | |
| SCHEMBL15216488 | 0.77 | ALDH1A1 (0.38) | TDP1TP53CYP1A2ALDH1A1MAPT | |
| SCHEMBL15216519 | 0.77 | NFE2L2 (0.56) | FBP1NPC1ACHETSHRRAB9A |
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-109438288-B | N-nitrone substituted aromatic amide derivative and preparation method thereof | 河南中医药大学 | 2021-05-07 | — | — | CN | disclosed |