Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.59 |
| ▸ | CA1 | P00915 | 3/20 | 0.59 |
| ▸ | CA2 | P00918 | 3/20 | 0.59 |
| ▸ | CA9 | Q16790 | 3/20 | 0.59 |
| ▸ | NAAA | Q02083 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.45 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14763657 | 1.00 | CA12 (0.59) | CA12CA1CA2CA9NAAA | |
| SCHEMBL9648929 | 1.00 | CA12 (0.59) | CA12CA1CA2CA9NAAA | |
| SCHEMBL3226399 | 1.00 | CA12 (0.59) | CA12CA1CA2CA9NAAA | |
| SCHEMBL12095457 | 1.00 | CA12 (0.59) | CA12CA1CA2CA9NAAA | |
| SCHEMBL11438032 | 1.00 | CA12 (0.59) | CA12CA1CA2CA9NAAA | |
| SCHEMBL9784644 | 1.00 | CA12 (0.59) | CA12CA1CA2CA9NAAA | |
| SCHEMBL2496736 | 1.00 | CA12 (0.59) | CA12CA1CA2CA9NAAA | |
| SCHEMBL6564962 | 1.00 | CA12 (0.59) | CA12CA1CA2CA9NAAA | |
| SCHEMBL6691892 | 1.00 | CA12 (0.59) | CA12CA1CA2CA9NAAA | |
| SCHEMBL28259038 | 1.00 | CA12 (0.59) | CA12CA1CA2CA9NAAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111320562-B | Method for producing isothiocyanate | 旭化成株式会社 | 2022-08-16 | — | — | CN | disclosed |
| CN-113880741-A | Method for producing isothiocyanate | 旭化成株式会社 | 2022-01-04 | — | — | CN | disclosed |
| CN-111320562-A | Method for producing isothiocyanate | 旭化成株式会社 | 2020-06-23 | — | — | CN | disclosed |
| CN-106955790-A | A kind of N alkyl hydroximic acid O alkyl thiourethanes collecting agent, preparation and its application | 中南大学 | 2017-07-18 | — | — | CN | disclosed |
| CN-105026367-A | Method for producing isothiocyanate, composition for transporting and storing N-substituted-O-substituted thiocarbamate, and isothiocyanate composition | ASAHI KASEI CHEMICALS CORP | 2015-11-04 | — | — | CN | disclosed |