Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.73 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.70 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.69 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.69 |
| ▸ | MAPT | P10636 | 5/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.68 |
| ▸ | MEN1 | O00255 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.68 |
| ▸ | TSHR | P16473 | 2/20 | 0.68 |
| ▸ | NPC1 | O15118 | 2/20 | 0.68 |
| ▸ | RAB9A | P51151 | 2/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 2/20 | 0.61 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.54 |
| ▸ | CFTR | P13569 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1885662 | 0.94 | PTGS2 (0.81) | PTGS2ALOX5CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL29654152 | 0.88 | PTGS2 (0.69) | PTGS2ALOX5CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL28701603 | 0.88 | PTGS2 (0.69) | PTGS2ALOX5CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL12298228 | 0.84 | SMN1; SMN2 (0.93) | PTGS2ALOX5CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL28707160 | 0.84 | CYP1A1 (0.68) | PTGS2ALOX5CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL207468 | 0.82 | PTGS2 (0.77) | PTGS2ALOX5CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL28713936 | 0.81 | CYP1A1 (1.00) | PTGS2ALOX5CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL12297517 | 0.81 | SMN1; SMN2 (1.00) | PTGS2ALOX5CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL12298248 | 0.81 | SMN1; SMN2 (1.00) | PTGS2ALOX5CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL12297293 | 0.80 | PTGS2 (0.67) | PTGS2ALOX5CYP1A1CYP1A2CYP1B1 |
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-114249702-A | N-aryl- [2,4 '-bithiazole ] -2' -amine compound and preparation and application thereof | 沈阳药科大学 | 2022-03-29 | — | — | CN | disclosed |