Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28169724 | 1.00 | KCNH2 (0.44) | KCNH2GPR84ALDH1A1PKMHPGD | |
| SCHEMBL29077364 | 1.00 | KCNH2 (0.44) | KCNH2GPR84ALDH1A1PKMHPGD | |
| SCHEMBL31273830 | 1.00 | KCNH2 (0.44) | KCNH2GPR84ALDH1A1PKMHPGD | |
| SCHEMBL28284440 | 1.00 | KCNH2 (0.44) | KCNH2GPR84ALDH1A1PKMHPGD | |
| Ammonia Solution, Strong SCHEMBL28122086 | 0.98 | KCNH2 (0.43) | KCNH2GPR84ALDH1A1PKMHPGD | |
| SCHEMBL28129106 | 0.94 | KCNH2 (0.40) | KCNH2GPR84ALDH1A1PKMHPGD | |
| SCHEMBL8682185 | 0.93 | GPR84 (0.42) | KCNH2GPR84ALDH1A1PKMHPGD | |
| SCHEMBL5186754 | 0.93 | GPR84 (0.42) | KCNH2GPR84ALDH1A1PKMHPGD | |
| SCHEMBL7515966 | 0.91 | EPHX2 (0.40) | KCNH2ALDH1A1HPGD | |
| SCHEMBL7515964 | 0.91 | EPHX2 (0.40) | KCNH2ALDH1A1HPGD |
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-104498958-B | Preparation method of hydrogen sulfide corrosion inhibitor used in production oil pipeline of offshore oil field | 刘旸 | 2017-06-16 | — | — | CN | disclosed |
| CN-105602675-A | Preparation method of heat conductive oil used for transformers | ZHAO JIN | 2016-05-25 | — | — | CN | disclosed |