Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21551572 | 0.91 | CYP2C9 (0.42) | CA1CA2CA9CYP2C9ACHE | |
| SCHEMBL11599009 | 0.87 | ACHE (0.56) | CA1CA2CA9CYP2C9ACHE | |
| Methacrylic Acid SCHEMBL30274386 | 0.82 | KDM4E (0.48) | CA1CA2CA9CYP2C9ACHE | |
| SCHEMBL10587671 | 0.78 | TRPV1 (0.36) | CA1CA2CA9CYP2C9ACHE | |
| SCHEMBL25477260 | 0.78 | KDM4E (0.44) | CA1CA2CA9CYP2C9LMNA | |
| SCHEMBL21551646 | 0.76 | TSHR (0.53) | CYP2C9ACHELMNATDP1HSD17B10 | |
| SCHEMBL2625766 | 0.76 | KDM4E (0.43) | CA1CA2CA9TDP1ALDH1A1 | |
| SCHEMBL13580642 | 0.76 | CYP2C19 (0.66) | CYP2C9LMNACYP2C19MRGPRX4TDP1 | |
| SCHEMBL15887460 | 0.76 | MRGPRX4 (0.48) | CA1CA2CA9LMNACYP2C19 | |
| SCHEMBL11903131 | 0.75 | CA1 (0.40) | CA1CA2CA9CYP2C9LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019216355-A1 | METHOD FOR CONVERTING HYDROXYL GROUP OF ALCOHOL | 高砂香料工業株式会社 (JP) | 2019-11-14 | — | — | WO | disclosed |