Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL449836 | 0.85 | — | — | |
| SCHEMBL30577822 | 0.80 | CA12 (0.57) | CA12CA1CA9CES2CES1 | |
| SCHEMBL28455177 | 0.80 | CA12 (0.57) | CA12CA1CA9CES2CES1 | |
| SCHEMBL29032005 | 0.80 | CA12 (0.57) | CA12CA1CA9CES2CES1 | |
| SCHEMBL29031998 | 0.80 | CA12 (0.57) | CA12CA1CA9CES2CES1 | |
| SCHEMBL28275759 | 0.80 | CA12 (0.57) | CA12CA1CA9CES2CES1 | |
| Cyanide SCHEMBL28062798 | 0.78 | ACHE (0.52) | CES2CES1IDO1CYP1A2CYP2A6 | |
| Ethylene SCHEMBL28188907 | 0.76 | CA12 (0.53) | CA12CA1CA9CES2CES1 | |
| Cyanide SCHEMBL28243953 | 0.75 | HCAR2 (0.46) | CA12CA1CA9 | |
| SCHEMBL2091151 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105934426-B | Aryl sulfonic acid compound and its utilization | 日产化学工业株式会社 | 2019-01-15 | — | — | CN | disclosed |
| CN-107922543-A | Copolymer, its manufacture method, electric wire coatings resin material and electric wire | 旭硝子株式会社 | 2018-04-17 | — | — | CN | disclosed |
| CN-105934426-A | Aryl sulfonic acid compound and use thereof | 日产化学工业株式会社 | 2016-09-07 | — | — | CN | disclosed |