Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28407960 | 0.74 | ALDH1A1 (0.40) | ALDH1A1PKMHTR2AHTR2CHTR2B | |
| SCHEMBL574245 | 0.74 | ALDH1A1 (0.40) | ALDH1A1PKMHTR2AHTR2CHTR2B | |
| SCHEMBL28581164 | 0.70 | KMT2A (0.34) | — | |
| SCHEMBL21198979 | 0.69 | CYP17A1 (0.43) | ALDH1A1PKM | |
| SCHEMBL31478673 | 0.69 | SOS1 (0.35) | ALDH1A1PKMHTR2AHTR2CHTR2B | |
| SCHEMBL27927715 | 0.69 | ALDH1A1 (0.34) | ALDH1A1PKMHTR2AHTR2CHTR2B | |
| SCHEMBL28290766 | 0.68 | ALDH1A1 (0.41) | ALDH1A1PKMHTR2AHTR2CHTR2B | |
| SCHEMBL27453998 | 0.68 | HTR2A (0.35) | ALDH1A1PKMHTR2AHTR2CHTR2B | |
| SCHEMBL2977912 | 0.68 | ALDH1A1 (0.39) | ALDH1A1PKMHTR2AHTR2CHTR2B | |
| SCHEMBL28016917 | 0.68 | L3MBTL1 (0.36) | ALDH1A1PKMHTR2AHTR2CHTR2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112939708-B | Imidazole and pyrazole combustion rate catalyst containing ferrocenyl methyl-1, 2, 3-triazolyl group and preparation method thereof | 陕西师范大学 | 2021-11-30 | — | — | CN | disclosed |
| CN-112939708-A | Imidazole and pyrazole combustion rate catalyst containing ferrocenyl methyl-1, 2, 3-triazolyl group and preparation method thereof | 陕西师范大学 | 2021-06-11 | — | — | CN | disclosed |