Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.55 |
| ▸ | CA1 | P00915 | 7/20 | 0.55 |
| ▸ | CA9 | Q16790 | 6/20 | 0.55 |
| ▸ | CA12 | O43570 | 5/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.55 |
| ▸ | CA3 | P07451 | 3/20 | 0.55 |
| ▸ | CA4 | P22748 | 3/20 | 0.55 |
| ▸ | CA6 | P23280 | 3/20 | 0.55 |
| ▸ | CA5A | P35218 | 3/20 | 0.55 |
| ▸ | CA7 | P43166 | 3/20 | 0.55 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11419996 | 0.89 | CA2 (0.67) | CA2CA1CA9CA12CA14 | |
| SCHEMBL11855965 | 0.89 | CA2 (0.67) | CA2CA1CA9CA12CA14 | |
| SCHEMBL3158508 | 0.89 | CA2 (0.67) | CA2CA1CA9CA12CA14 | |
| SCHEMBL8764904 | 0.87 | ALDH1A1 (0.56) | CA2CA1CA9CA12CA14 | |
| SCHEMBL1362 | 0.87 | ALDH1A1 (0.56) | CA2CA1CA9CA12CA14 | |
| SCHEMBL9804074 | 0.84 | ALDH1A1 (0.54) | CA2CA1CA9CA12CA14 | |
| SCHEMBL7143035 | 0.84 | ALDH1A1 (0.54) | CA2CA1CA9CA12CA14 | |
| SCHEMBL8934653 | 0.84 | ALDH1A1 (0.54) | CA2CA1CA9CA12CA14 | |
| Potassium Ion SCHEMBL7143040 | 0.84 | ALDH1A1 (0.54) | CA2CA1CA9CA12CA14 | |
| Fluoride SCHEMBL29094702 | 0.84 | ALDH1A1 (0.54) | CA2CA1CA9CA12CA14 |
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 |
|---|---|---|---|---|---|---|---|
| US-5464912-A | Adduct with rodlike mesogenic moiety, adduct made by reacting polyepoxide with nitro/so/ compound having epoxy-reactive hydrogen; conversion of hydroxyl product to ether, ester, halide, urethane, ketone, alkane; reducing nitro/so/ to amine | THE DOW CHEMICAL COMPANY (US) | 1995-11-07 | — | — | US | disclosed |
| US-5412044-A | Nitro group terminated mesogenic epoxy resin adducts | THE DOW CHEMICAL COMPANY (US) | 1995-05-02 | — | — | US | disclosed |
| US-5344898-A | Curable composition with stilbene groups and molecular orientation | THE DOW CHEMICAL COMPANY (US) | 1994-09-06 | — | — | US | disclosed |
| US-5298575-A | Consists of at least one compound having more than one vicinal epoxide group and at least one amine terminated adduct containing one or more mesogenic moities | THE DOW CHEMICAL COMPANY (US) | 1994-03-29 | — | — | US | disclosed |