Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 4/20 | 0.34 |
| ▸ | EDNRA | P25101 | 4/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.34 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NCF1 | P14598 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL370582 | 0.80 | EDNRB (0.35) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL10144369 | 0.70 | CYP1A2 (0.42) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL364699 | 0.67 | GAA (0.36) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL27771627 | 0.62 | KDM4E (0.40) | CYP1A2ALDH1A1MAPTHTTTSHR | |
| SCHEMBL1712504 | 0.60 | ATM (0.35) | CYP1A2ALDH1A1HTTTSHRCYP3A4 | |
| SCHEMBL4546868 | 0.59 | ADORA2A (0.53) | CYP1A2ALDH1A1MAPTL3MBTL1GAA | |
| Toluene SCHEMBL10523657 | 0.59 | LMNA (0.58) | CYP1A2ALDH1A1MAPTL3MBTL1GAA | |
| SCHEMBL56734 | 0.59 | MAPK1 (0.44) | CYP1A2ALDH1A1MAPTTSHRKMT2A | |
| SCHEMBL18597143 | 0.59 | CCR1 (0.58) | CYP1A2ALDH1A1L3MBTL1HTTTSHR | |
| SCHEMBL13377842 | 0.58 | GRM5 (0.57) | CYP1A2ALDH1A1MAPTKMT2ARAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2593426-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007365-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |