Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | ARG2 | P78540 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ARG1 | P05089 | 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 | |
|---|---|---|---|---|
| SCHEMBL219668 | 0.86 | CA1 (0.56) | CA1CA2ARG2CES2CES1 | |
| Ethylene Glycol SCHEMBL8392416 | 0.79 | CA1 (0.50) | CA1CA2ARG2CES2CES1 | |
| Diphenylmethane SCHEMBL18813679 | 0.77 | CALM1 (0.57) | CES2CES1AKR1B1TSHRMAOB | |
| SCHEMBL25377641 | 0.76 | CA1 (0.46) | CA1CA2ARG2TSHRCALM1 | |
| Pyridine SCHEMBL1581039 | 0.76 | CA1 (0.46) | CA1CA2ARG2TSHRTDP1 | |
| Benzyl Alcohol SCHEMBL11012015 | 0.75 | TSHR (0.70) | CES2CES1AKR1B1TSHRMAOB | |
| Benzyl Alcohol SCHEMBL11219576 | 0.75 | TSHR (0.70) | CES2CES1AKR1B1TSHRMAOB | |
| Diphenylmethane SCHEMBL9449990 | 0.74 | CALM1 (0.67) | CA1CA2CES2CES1TSHR | |
| Diphenylmethane SCHEMBL333766 | 0.74 | CALM1 (0.67) | CA1CA2CES2CES1TSHR | |
| SCHEMBL7604988 | 0.74 | MAOA (0.50) | CA1CA2MAOBKEAP1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111405934-B | Method for isolating, separating, purifying or detecting acidic polar molecules | 沃特世科技公司 | 2022-04-26 | — | — | CN | disclosed |
| CN-111405934-A | High purity chromatographic materials comprising ionizable modifiers for retention of acidic analytes | 沃特世科技公司 | 2020-07-10 | — | — | CN | disclosed |