Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.55 |
| ▸ | CA1 | P00915 | 7/20 | 0.55 |
| ▸ | CA2 | P00918 | 7/20 | 0.55 |
| ▸ | CA9 | Q16790 | 7/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.43 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21609702 | 0.91 | CA12 (0.52) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL7969119 | 0.88 | CA12 (0.53) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL3020849 | 0.83 | CA12 (0.51) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL1005270 | 0.81 | CA12 (0.65) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL21609701 | 0.81 | CA12 (0.52) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL2120359 | 0.81 | CA1 (0.52) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL16245772 | 0.81 | CA12 (0.73) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL30448576 | 0.81 | CA12 (0.61) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL463829 | 0.81 | CA12 (0.61) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL25718690 | 0.81 | CA12 (0.61) | CA12CA1CA2CA9TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019244939-A1 | LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME, AND PRODUCTION METHOD FOR SAID LIQUID CRYSTAL DISPLAY ELEMENT, AND DIAMINE COMPOUND | 日産化学株式会社 | 2019-12-26 | — | — | WO | disclosed |