Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TPMT | P51580 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1712869 | 0.81 | MYC (0.45) | TSHRRXRARXRBMYCHSD17B10 | |
| SCHEMBL3420562 | 0.81 | TSHR (0.42) | TSHRMYCESR1ALOX15PTPN7 | |
| SCHEMBL14616920 | 0.81 | HAO1 (0.50) | TSHR | |
| SCHEMBL3959215 | 0.79 | ALDH1A1 (0.51) | TSHRMYCESR1ALOX15PTPN7 | |
| SCHEMBL31186416 | 0.79 | ALDH1A1 (0.51) | TSHRMYCESR1ALOX15PTPN7 | |
| SCHEMBL9609642 | 0.79 | TSHR (0.47) | TSHRRXRARXRBMYCESR1 | |
| SCHEMBL24528448 | 0.77 | TDP1 (0.42) | TSHRMYCESR1ALOX15PTPN7 | |
| SCHEMBL9609638 | 0.77 | TSHR (0.40) | TSHRRXRAMYCESR1ALOX15 | |
| SCHEMBL4062149 | 0.76 | CSF1R (0.46) | TSHR | |
| SCHEMBL566400 | 0.75 | ALDH1A1 (0.42) | TSHRRXRAALDH1A1TDP1MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103965195-B | Compound and application thereof for discoidin domain receptor micromolecular inhibitor | 中国科学院广州生物医药与健康研究院 | 2016-09-28 | — | — | CN | disclosed |
| CN-103214480-B | Pyrazolopyridine alkynes benzene-like compounds and medicinal compositions thereof and application | GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) | 2015-12-16 | — | — | CN | disclosed |
| CN-103965195-A | Compound used for discoidin domain receptor micro-molecule inhibitor, and its application | GUANGZHOU INST BIOMED & HEALTH | 2014-08-06 | — | — | CN | disclosed |