Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27504264 | 0.78 | TRPA1 (0.48) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL31488567 | 0.77 | MDM2 (0.47) | KDM4ECYP1A2NPC1RAB9AALPI | |
| SCHEMBL12458539 | 0.77 | TRPA1 (0.47) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL28216354 | 0.75 | TAAR1 (0.50) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL27811912 | 0.73 | TRPA1 (0.44) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL1153491 | 0.73 | KDM4E (0.61) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL8540631 | 0.73 | KDM4E (0.61) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL1153493 | 0.73 | KDM4E (0.61) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Ammonia Solution, Strong SCHEMBL28119423 | 0.73 | TRPA1 (0.40) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL10693279 | 0.72 | EPHX1 (0.44) | TRPA1TAAR1SLC6A2SIGMAR1MAOA |
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-106753514-B | A kind of method of choline eutectic solvent abstraction desulfurization | 江苏大学 | 2019-04-02 | — | — | CN | claimed |
| CN-106753514-B | A kind of method of choline eutectic solvent abstraction desulfurization | 江苏大学 | 2019-04-02 | — | — | CN | disclosed |