Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8915461 | 1.00 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL3712286 | 1.00 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL23827431 | 0.86 | ALDH1A1 (0.37) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL3320313 | 0.84 | NT5E (0.37) | ALDH1A1TSHRCA2MEN1CYP3A4 | |
| SCHEMBL3320307 | 0.84 | NT5E (0.37) | ALDH1A1TSHRCA2MEN1CYP3A4 | |
| SCHEMBL3320310 | 0.84 | NT5E (0.37) | ALDH1A1TSHRCA2MEN1CYP3A4 | |
| SCHEMBL909187 | 0.83 | KMT2A (0.38) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL537494 | 0.83 | KMT2A (0.38) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL909752 | 0.83 | KMT2A (0.38) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL32681961 | 0.79 | SLC6A2 (0.37) | ALDH1A1KDM4ETSHRMEN1MAPK1 |
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-5688774-A | ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1997-11-18 | — | — | US | disclosed |