Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 3/20 | 0.49 |
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9742052 | 1.00 | NR5A1 (0.50) | NR5A1LTA4HTHRACA12CA1 | |
| SCHEMBL9742485 | 1.00 | NR5A1 (0.50) | NR5A1LTA4HTHRACA12CA1 | |
| SCHEMBL9743849 | 0.98 | NR5A1 (0.53) | NR5A1LTA4HTHRATSHRTP53 | |
| SCHEMBL9743193 | 0.98 | NR5A1 (0.53) | NR5A1LTA4HTHRATSHRTP53 | |
| SCHEMBL9741994 | 0.98 | NR5A1 (0.53) | NR5A1LTA4HTHRATSHRTP53 | |
| SCHEMBL9743638 | 0.98 | NR5A1 (0.53) | NR5A1LTA4HTHRATSHRTP53 | |
| SCHEMBL9742284 | 0.98 | NR5A1 (0.53) | NR5A1LTA4HTHRATSHRTP53 | |
| SCHEMBL9742442 | 0.98 | NR5A1 (0.53) | NR5A1LTA4HTHRATSHRTP53 | |
| SCHEMBL9742605 | 0.98 | NR5A1 (0.53) | NR5A1LTA4HTHRATSHRTP53 | |
| SCHEMBL9743091 | 0.98 | NR5A1 (0.53) | NR5A1LTA4HTHRATSHRTP53 |
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-5084204-A | Naphthylacetylenes | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-01-28 | — | — | US | disclosed |