Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.52 |
| ▸ | CA1 | P00915 | 5/20 | 0.52 |
| ▸ | CA2 | P00918 | 5/20 | 0.52 |
| ▸ | CA9 | Q16790 | 5/20 | 0.52 |
| ▸ | IDO1 | P14902 | 3/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | 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 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21609699 | 0.91 | CA12 (0.55) | CA12CA1CA2CA9CYP1A1 | |
| SCHEMBL21609701 | 0.90 | CA12 (0.52) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL1531272 | 0.87 | CA12 (0.50) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL7449161 | 0.87 | CA12 (0.50) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL12693236 | 0.87 | CA12 (0.50) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL31759032 | 0.86 | CA1 (0.49) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL447122 | 0.86 | CA12 (0.46) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL23629002 | 0.85 | CA12 (0.48) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL4007583 | 0.85 | CA12 (0.50) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL18034625 | 0.84 | CA12 (0.47) | CA12CA1CA2CA9IDO1 |
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 |