Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 6/20 | 0.50 |
| ▸ | CA2 | P00918 | 6/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5694085 | 0.77 | NR1I2 (0.68) | NR1I2CA1CA2CES2CES1 | |
| SCHEMBL6232157 | 0.77 | NR1I2 (1.00) | NR1I2CA1CA2CES2CES1 | |
| SCHEMBL554922 | 0.77 | NR1I2 (1.00) | NR1I2CA1CA2CES2CES1 | |
| SCHEMBL554921 | 0.77 | NR1I2 (1.00) | NR1I2CA1CA2CES2CES1 | |
| SCHEMBL19974595 | 0.77 | CES2 (0.58) | NR1I2CA1CA2CES2CES1 | |
| SCHEMBL1866929 | 0.75 | CA1 (0.60) | NR1I2CA1CA2CES2CES1 | |
| SCHEMBL9782361 | 0.75 | CES2 (0.56) | NR1I2CA1CA2CES2CES1 | |
| SCHEMBL23252596 | 0.74 | NR1I2 (0.63) | NR1I2CA1CA2CES2CES1 | |
| SCHEMBL5085228 | 0.74 | NR1I2 (0.63) | NR1I2CA1CA2CES2CES1 | |
| SCHEMBL12973284 | 0.74 | NR1I2 (0.63) | NR1I2CA1CA2CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4997836-A | Inhibitor of platelet activating factor | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-03-05 | — | — | US | disclosed |
| EP-0368670-A1 | Trisubstituted piperazine compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-05-16 | — | — | EP | disclosed |
| US-4474868-A | ORGANIC PEROXIDE AND COMPOUND CONTAINING CATIONIC OXYGEN, SULFUR OXYGEN,SULFUR OR SELENIUM | NIPPON OIL AND FATS CO., LTD. (JP) | 1984-10-02 | — | — | US | disclosed |