Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.62 |
| ▸ | FYN | P06241 | 2/20 | 0.62 |
| ▸ | ACHE | P22303 | 2/20 | 0.62 |
| ▸ | AHR | P35869 | 2/20 | 0.62 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.62 |
| ▸ | MAOA | P21397 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.58 |
| ▸ | HPGD | P15428 | 6/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL31177937 | 1.00 | CYP1A2 (0.62) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL4847339 | 0.96 | CYP1A2 (0.62) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL4853128 | 0.96 | ALDH1A1 (0.64) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL31177929 | 0.96 | ALDH1A1 (0.64) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL27594413 | 0.92 | CYP1A2 (0.74) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL4847142 | 0.90 | CYP1A2 (0.70) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL3976910 | 0.88 | CYP1A2 (0.73) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL29944899 | 0.88 | CYP1A2 (0.73) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL4854579 | 0.88 | ALDH1A1 (0.62) | CYP1A2FYNACHEAHRERBB2 | |
| SCHEMBL4845145 | 0.87 | ALDH1A1 (0.68) | CYP1A2FYNACHEAHRERBB2 |
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-0039085-A1 | Process for increasing the solubility of aromatic systems | Langhals, Heinz, Dr. (DE) | 1981-11-04 | — | — | EP | disclosed |