Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | THRA | P10827 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | RARB | P10826 | 1/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | TACR2 | P21452 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28582196 | 0.92 | TSHR (0.58) | TSHRALDH1A1HSD17B10THRATHRB | |
| SCHEMBL8161742 | 0.91 | ALDH1A1 (0.52) | TSHRALDH1A1HSD17B10HPGDCA2 | |
| SCHEMBL28578535 | 0.91 | TSHR (0.48) | TSHRALDH1A1HSD17B10HPGDCA2 | |
| Glutaral SCHEMBL28173116 | 0.88 | ESR1 (0.63) | TSHRALDH1A1HSD17B10HPGDCA2 | |
| SCHEMBL8827593 | 0.88 | TSHR (0.64) | TSHRALDH1A1HSD17B10THRATHRB | |
| SCHEMBL97939 | 0.88 | TSHR (0.64) | TSHRALDH1A1HSD17B10THRATHRB | |
| SCHEMBL5253771 | 0.87 | TAAR1 (0.46) | TSHRALDH1A1HSD17B10HPGDCA2 | |
| SCHEMBL11894568 | 0.86 | RARB (0.47) | TSHRALDH1A1HSD17B10HPGDCA2 | |
| SCHEMBL5252411 | 0.85 | ESR1 (0.53) | ALDH1A1HSD17B10CA2THRATHRB | |
| SCHEMBL5394263 | 0.84 | ALDH1A1 (0.53) | ALDH1A1HSD17B10HPGDCA2SMN1; SMN2 |
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-107074712-B | Improvements in or relating to organic compounds | 奇华顿股份有限公司 | 2021-06-29 | — | — | CN | claimed |
| US-20080139433-A1 | Mixtures And Method For Cleaning Surfaces | BASF AKTIENGESELLSCHAFT (DE) | 2008-06-12 | — | — | US | disclosed |