Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.64 |
| ▸ | TSHR | P16473 | 3/20 | 0.64 |
| ▸ | HPGD | P15428 | 3/20 | 0.64 |
| ▸ | CASP1 | P29466 | 3/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.64 |
| ▸ | CASP7 | P55210 | 2/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.58 |
| ▸ | ATM | Q13315 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.47 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL405253 | 0.96 | ALDH1A1 (0.70) | ALDH1A1HSD17B10MAPK1TSHRHPGD | |
| SCHEMBL3839468 | 0.87 | ALDH1A1 (0.71) | ALDH1A1HSD17B10MAPK1TSHRHPGD | |
| Triphenylene SCHEMBL21351780 | 0.84 | ALDH1A1 (0.83) | ALDH1A1HSD17B10MAPK1TSHRHPGD | |
| Benzo(K)Fluoranthene SCHEMBL3432727 | 0.82 | ALDH1A1 (0.66) | ALDH1A1HSD17B10MAPK1TSHRHPGD | |
| Benzo[E]Pyrene SCHEMBL4977467 | 0.82 | ALDH1A1 (0.76) | ALDH1A1HSD17B10MAPK1TSHRHPGD | |
| Fluoranthene SCHEMBL5469984 | 0.81 | ALDH1A1 (0.79) | ALDH1A1HSD17B10MAPK1TSHRHPGD | |
| SCHEMBL29489957 | 0.81 | ALDH1A1 (0.70) | ALDH1A1HSD17B10MAPK1TSHRHPGD | |
| SCHEMBL1007545 | 0.81 | ALDH1A1 (0.55) | ALDH1A1HSD17B10MAPK1TSHRHPGD | |
| SCHEMBL31025695 | 0.81 | ALDH1A1 (0.55) | ALDH1A1HSD17B10MAPK1TSHRHPGD | |
| SCHEMBL30241384 | 0.81 | ALDH1A1 (0.55) | ALDH1A1HSD17B10MAPK1TSHRHPGD |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000159697-A | HYDROCARBON COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT | MITSUI CHEMICALS INC | 2000-06-13 | — | — | JP | disclosed |