Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.44 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL98657 | 0.93 | ALDH1A1 (0.58) | ALDH1A1CYP1A1CYP1A2CYP1B1FBP1 | |
| SCHEMBL1024003 | 0.88 | ALDH1A1 (0.65) | ALDH1A1TSHRHDAC8LMNA | |
| Lithium SCHEMBL30427541 | 0.85 | ALDH1A1 (0.61) | ALDH1A1TSHRHDAC8LMNA | |
| SCHEMBL14289218 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TSHRHDAC8KDM4ELMNA | |
| SCHEMBL7033576 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP1A1CYP1A2CYP1B1TSHR | |
| SCHEMBL16709768 | 0.79 | ALDH1A1 (0.59) | ALDH1A1TSHRHDAC8MAPT | |
| SCHEMBL942072 | 0.79 | ALDH1A1 (0.59) | ALDH1A1TSHRHDAC8MAPT | |
| SCHEMBL19914058 | 0.77 | ALDH1A1 (0.86) | ALDH1A1CYP1A1CYP1A2CYP1B1FBP1 | |
| SCHEMBL9888795 | 0.76 | ALDH1A1 (0.48) | ALDH1A1TSHRHDAC8LMNA | |
| SCHEMBL16709778 | 0.74 | SLC6A4 (0.37) | ALDH1A1CYP1A1CYP1A2CYP1B1 |
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-2015068839-A1 | POLYMERIZABLE COMPOUND, RESIN COMPOSITION USING SAME, CURED RESIN, AND OPTICAL MATERIAL | 新日鉄住金化学株式会社 | 2015-05-14 | — | — | WO | disclosed |