Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | STAT1 | P42224 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | PLEC | Q15149 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5044620 | 0.82 | ESR1 (0.54) | ESR1ESR2ERAP1KDM4EKMT2A | |
| SCHEMBL6869907 | 0.73 | THRB (0.44) | ERAP1THRBKDM4EKMT2AALDH1A1 | |
| Biphenyl SCHEMBL27611650 | 0.73 | PGR (0.44) | ERAP1KDM4EKMT2AALDH1A1NPC1 | |
| Trifluoromethanesulfonic Acid SCHEMBL3521218 | 0.71 | ERAP1 (0.39) | ESR1ESR2ERAP1KDM4EKMT2A | |
| SCHEMBL5041731 | 0.71 | THRB (0.39) | THRBKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL31675834 | 0.69 | ESR1 (0.82) | ESR1ESR2ERAP1THRBKDM4E | |
| SCHEMBL5082203 | 0.69 | ESR1 (0.82) | ESR1ESR2ERAP1THRBKDM4E | |
| SCHEMBL3366067 | 0.67 | ESR1 (0.88) | ESR1ESR2ERAP1THRBKDM4E | |
| SCHEMBL8934513 | 0.67 | ESR1 (0.88) | ESR1ESR2ERAP1THRBKDM4E | |
| SCHEMBL1800595 | 0.65 | CA1 (0.56) | ESR1ESR2ERAP1KDM4EKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1481973-B1 | HETEROCYCLE-BEARING ONIUM SALTS | WAKO PURE CHEM IND LTD (JP) | 2008-12-31 | — | — | EP | disclosed |
| EP-1953149-A2 | A heterocycle-containing onium salt | Wako Pure Chemical Industries, Ltd. (JP) | 2008-08-06 | — | — | EP | disclosed |
| EP-1481973-A1 | HETEROCYCLE-BEARING ONIUM SALTS | Wako Pure Chemical Industries, Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |