Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.77 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.67 |
| ▸ | CASP1 | P29466 | 1/20 | 0.67 |
| ▸ | CASP7 | P55210 | 1/20 | 0.67 |
| ▸ | HBB | P68871 | 1/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.67 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | PLAU | P00749 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13304735 | 0.88 | ALDH1A1 (0.81) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| Naphthalene SCHEMBL3935606 | 0.88 | ALDH1A1 (1.00) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| Naphthylamine SCHEMBL76713 | 0.88 | ALDH1A1 (1.00) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| Naphthylamine SCHEMBL29394720 | 0.88 | ALDH1A1 (1.00) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| SCHEMBL29303802 | 0.87 | MAOA (0.61) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| SCHEMBL18903007 | 0.86 | ALDH1A1 (0.77) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| Naphthylamine SCHEMBL11381558 | 0.85 | ALDH1A1 (0.94) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| Naphthylamine SCHEMBL7454282 | 0.85 | ALDH1A1 (0.94) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| Naphthylamine SCHEMBL8440070 | 0.85 | ALDH1A1 (0.94) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| Anthracene SCHEMBL28853790 | 0.85 | ALDH1A1 (0.94) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 |
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-0128045-A1 | Process and catalyst for producing poly-ethylene having a broad molecular weight distribution | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1984-12-12 | — | — | EP | disclosed |