Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.58 |
| ▸ | CA1 | P00915 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CA9 | Q16790 | 3/20 | 0.58 |
| ▸ | NAAA | Q02083 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.40 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27267759 | 1.00 | CA12 (0.58) | CA12CA1CA2CA9NAAA | |
| SCHEMBL11765756 | 0.98 | CA12 (0.57) | CA12CA1CA2CA9NAAA | |
| SCHEMBL29121114 | 0.98 | CA12 (0.57) | CA12CA1CA2CA9NAAA | |
| SCHEMBL10345356 | 0.98 | CA12 (0.57) | CA12CA1CA2CA9NAAA | |
| SCHEMBL20897755 | 0.98 | CA12 (0.57) | CA12CA1CA2CA9NAAA | |
| SCHEMBL28369481 | 0.98 | CA12 (0.57) | CA12CA1CA2CA9NAAA | |
| SCHEMBL11609392 | 0.98 | CA12 (0.57) | CA12CA1CA2CA9NAAA | |
| SCHEMBL28672 | 0.98 | — | — | |
| SCHEMBL9870205 | 0.98 | CA12 (0.60) | CA12CA1CA2CA9NAAA | |
| SCHEMBL6691892 | 0.95 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112851283-A | Cementing material capable of solidifying and stabilizing heavy metal ions in tailings | 中钢集团马鞍山矿山研究总院股份有限公司 | 2021-05-28 | — | — | CN | disclosed |
| US-8123982-B2 | Dithiocarbamates provide improvement over tolyltriazole in inhibiting yellow metal corrosion | AKZO NOBEL N.V. (NL) | 2012-02-28 | — | — | US | disclosed |
| US-20050211957-A1 | Sulfur based corrosion inhibitors | AKZO NOBEL N.V. (NL) | 2005-09-29 | — | — | US | disclosed |
| EP-1580301-A1 | Sulfur based corrosion inhibitors | National Starch and Chemical Investment Holding Corporation (US) | 2005-09-28 | — | — | EP | disclosed |