Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD2 | O60906 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | EPOR | P19235 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10984140 | 0.82 | ALOX15 (0.35) | SMPD2KEAP1PGRADRA2AADRA2B | |
| SCHEMBL10985617 | 0.82 | SMPD2 (0.39) | SMPD2KEAP1NFE2L2 | |
| SCHEMBL10983199 | 0.78 | KEAP1 (0.36) | SMPD2KEAP1NFE2L2EPORPGR | |
| SCHEMBL10991548 | 0.77 | BCHE (0.34) | SMPD2MEN1ALDH1A1KMT2A | |
| SCHEMBL847204 | 0.76 | TDP1 (0.44) | KEAP1EPORADRA2AALDH1A1 | |
| SCHEMBL17075274 | 0.75 | TSHR (0.40) | KEAP1KMT2A | |
| SCHEMBL10985490 | 0.75 | TDP1 (0.41) | KEAP1EPORALDH1A1 | |
| SCHEMBL10985506 | 0.72 | ALOX15 (0.36) | KEAP1 | |
| SCHEMBL10980929 | 0.72 | ALDH1A1 (0.35) | KCNH2ALDH1A1 | |
| SCHEMBL10984905 | 0.71 | ALOX15 (0.38) | KEAP1EPORADRA2AMEN1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4543216-A | REACTING A VINYL BENZYL HALIDE WITH AN AMINO ACID OR AMINO SULFONIC ACID | NIPPON PAINT CO., LTD. (JP) | 1985-09-24 | — | — | US | disclosed |
| US-4452746-A | TO MODIFY PROPERTIES OF HIGH MOLECULAR WEIGHT COMPOUNDS | NIPPON PAINT CO., LTD. (JP) | 1984-06-05 | — | — | US | disclosed |