Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.48 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL13807149 | 1.00 | ACHE (0.50) | ACHECYP1A2CYP1A1CYP1B1XDH | |
| SCHEMBL29951947 | 0.82 | ALDH1A1 (0.66) | ACHECYP1A2CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL96209 | 0.82 | ALDH1A1 (0.66) | ACHECYP1A2CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL29575647 | 0.81 | CYP1A2 (0.75) | CYP1A2CYP1A1CYP1B1ALDH1A1MAPT | |
| SCHEMBL714242 | 0.81 | CYP1A2 (0.75) | CYP1A2CYP1A1CYP1B1ALDH1A1MAPT | |
| SCHEMBL4624144 | 0.81 | CYP1A2 (0.75) | CYP1A2CYP1A1CYP1B1ALDH1A1MAPT | |
| SCHEMBL16303382 | 0.81 | CYP3A4 (0.59) | ACHECYP1A2CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL21348240 | 0.80 | APP (0.64) | CYP1A1CYP1B1XDHMAPTTDP1 | |
| SCHEMBL1682631 | 0.80 | APP (0.64) | CYP1A1CYP1B1XDHMAPTTDP1 | |
| SCHEMBL28988651 | 0.80 | CYP1A2 (0.47) | CYP1A2CYP1A1CYP1B1XDHALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2555046-B1 | POLYMER FOR USE IN A LIQUID-CRYSTAL ALIGNMENT LAYER | DAINIPPON INK & CHEMICALS (JP) | 2015-12-09 | — | — | EP | disclosed |