Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.54 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | STAT1 | P42224 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | PLEC | Q15149 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5044188 | 0.82 | ESR1 (0.41) | ESR1ESR2ERAP1ALDH1A1KDM4E | |
| SCHEMBL5082203 | 0.81 | ESR1 (0.82) | ESR1ESR2ERAP1ALDH1A1KDM4E | |
| SCHEMBL31675834 | 0.81 | ESR1 (0.82) | ESR1ESR2ERAP1ALDH1A1KDM4E | |
| SCHEMBL1800595 | 0.79 | CA1 (0.56) | ESR1ESR2ERAP1ALDH1A1KDM4E | |
| SCHEMBL8934513 | 0.78 | ESR1 (0.88) | ESR1ESR2ERAP1ALDH1A1KDM4E | |
| SCHEMBL3366067 | 0.78 | ESR1 (0.88) | ESR1ESR2ERAP1ALDH1A1KDM4E | |
| SCHEMBL7117556 | 0.77 | ALDH1A1 (0.67) | ALDH1A1KDM4EKMT2ARAB9ANPC1 | |
| Trifluoromethanesulfonic Acid SCHEMBL3521218 | 0.76 | ERAP1 (0.39) | ESR1ESR2ERAP1ALDH1A1KDM4E | |
| SCHEMBL8123750 | 0.75 | KDM4E (0.58) | ESR1ESR2ERAP1ALDH1A1KDM4E | |
| SCHEMBL7117813 | 0.75 | ALDH1A1 (0.64) | ALDH1A1KDM4EKMT2ARAB9ANPC1 |
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-1481973-B1 | HETEROCYCLE-BEARING ONIUM SALTS | WAKO PURE CHEM IND LTD (JP) | 2008-12-31 | — | — | EP | disclosed |