Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4465763 | 0.87 | TSHR (0.50) | TSHRTP53SRD5A2CA1CA2 | |
| SCHEMBL2944623 | 0.84 | TSHR (0.46) | TSHRTP53SRD5A2CA1CA2 | |
| SCHEMBL31336278 | 0.77 | HTR2C (0.34) | — | |
| Terephthalic Acid SCHEMBL31728763 | 0.77 | TSHR (0.52) | TSHRTP53OPRD1SRD5A2CA1 | |
| SCHEMBL8083423 | 0.72 | TSHR (0.41) | TSHRTP53SRD5A2CA1CA2 | |
| Paraben SCHEMBL5893390 | 0.71 | CA2 (0.59) | TSHRTP53OPRD1SRD5A2CA1 | |
| Terephthalic Acid SCHEMBL31729036 | 0.71 | TSHR (0.60) | TSHRTP53OPRD1SRD5A2CA1 | |
| Benzoic Acid SCHEMBL7026585 | 0.71 | TSHR (0.56) | TSHRTP53OPRD1SRD5A2MAPT | |
| Terephthalic Acid SCHEMBL30526425 | 0.71 | TSHR (0.48) | TSHRTP53OPRD1SRD5A2CA1 | |
| 4-Methylbenzoic Acid SCHEMBL28030084 | 0.70 | ALDH1A1 (0.61) | TSHRTP53SRD5A2MAPTHPGD |
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-1046640-A2 | Process for preparing substituted phenyl boronic acids | Clariant GmbH (DE) | 2000-10-25 | — | — | EP | disclosed |