Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 5/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6988959 | 0.86 | ALDH1A1 (0.39) | TSHRMEN1KMT2AALDH1A1BLM | |
| SCHEMBL7450074 | 0.83 | TSHR (0.46) | TSHRMEN1KMT2AALDH1A1BLM | |
| SCHEMBL1698031 | 0.81 | TSHR (0.53) | TSHRMEN1KMT2AALDH1A1BLM | |
| SCHEMBL111724 | 0.81 | ALDH1A1 (0.47) | TSHRMEN1KMT2AALDH1A1BLM | |
| SCHEMBL1216706 | 0.81 | TSHR (0.47) | TSHRMEN1KMT2AALDH1A1BLM | |
| SCHEMBL4661245 | 0.79 | CYP3A4 (0.46) | TSHRMEN1KMT2AALDH1A1BLM | |
| SCHEMBL4328568 | 0.79 | SLC6A4 (0.55) | TSHRMEN1KMT2AALDH1A1BLM | |
| SCHEMBL27773246 | 0.79 | MAPT (0.46) | TSHRMEN1KMT2AALDH1A1BLM | |
| SCHEMBL96457 | 0.78 | TAAR1 (0.52) | TSHRMEN1KMT2AALDH1A1BLM | |
| SCHEMBL25218246 | 0.78 | KMT2A (0.44) | TSHRMEN1KMT2AALDH1A1BLM |
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-0104572-A1 | Benzyl ethers of phenol Mannich bases, process for their production, their use and pharmaceutical preparations based on these compounds, intermediates and process for their production | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-04-04 | — | — | EP | disclosed |