Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CASP1 | P29466 | 2/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17281687 | 0.89 | BRD4 (0.52) | BRD4CA9CA12CA1CA2 | |
| SCHEMBL13819247 | 0.88 | MGLL (0.48) | ALDH1A1BRD4CA9CA12CA1 | |
| SCHEMBL23054908 | 0.85 | BRD4 (0.46) | ALDH1A1BRD4CA9CA12CA1 | |
| SCHEMBL30829232 | 0.84 | MEN1 (0.47) | ALDH1A1NPC1RAB9ATSHRCASP1 | |
| SCHEMBL1962793 | 0.84 | MEN1 (0.47) | ALDH1A1NPC1RAB9ATSHRCASP1 | |
| SCHEMBL1104522 | 0.83 | MEN1 (0.46) | ALDH1A1NPC1RAB9ATSHRCASP1 | |
| SCHEMBL21973674 | 0.83 | BRD4 (0.47) | ALDH1A1BRD4CA9CA12CA1 | |
| SCHEMBL19823535 | 0.83 | BRD4 (0.40) | ALDH1A1HSD17B10BRD4CA9CA12 | |
| SCHEMBL18823084 | 0.82 | CA9 (0.48) | ALDH1A1NPC1RAB9ATSHRCASP1 | |
| SCHEMBL13819240 | 0.82 | BRD4 (0.41) | ALDH1A1NPC1RAB9ATSHRCASP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5081198-A | Diels-Alder Adducts With Aromatic Bisethynyl Compounds | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) | 1992-01-14 | — | — | US | disclosed |