Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.75 |
| ▸ | ACP3 | P15309 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21114421 | 0.86 | TSHR (1.00) | TSHRTRPA1ALDH1A1 | |
| SCHEMBL196731 | 0.86 | TSHR (1.00) | TSHRTRPA1ALDH1A1 | |
| SCHEMBL6061809 | 0.86 | TSHR (1.00) | TSHRTRPA1ALDH1A1 | |
| SCHEMBL1820543 | 0.86 | TSHR (1.00) | TSHRTRPA1ALDH1A1 | |
| SCHEMBL11161987 | 0.82 | TSHR (0.67) | TSHRCTSSCTSKTRPA1CA2 | |
| SCHEMBL10566017 | 0.82 | TSHR (0.67) | TSHRCTSSCTSKTRPA1CA2 | |
| SCHEMBL6056000 | 0.81 | TSHR (0.79) | TSHRMMP3BCL2L1TRPA1CYP3A4 | |
| SCHEMBL6390318 | 0.78 | PTGS2 (0.48) | TSHRACP3PTGS2CHRNB2CHRNA4 | |
| SCHEMBL8019224 | 0.78 | TSHR (0.67) | TSHRCA1CA2 | |
| SCHEMBL11675463 | 0.77 | CHRNB2 (0.45) | TSHRACP3PTGS2CHRNB2CHRNA4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111072586-B | N-hydroxy-3-substituted-5-carboxamide compound, preparation method and application thereof | 中国药科大学 | 2023-06-09 | — | — | CN | disclosed |
| EP-0711836-B1 | Method of producing optically active alpha-hydroxy acid or alpha-hydroxyamide | MITSUBISHI RAYON CO (JP) | 2000-02-02 | — | — | EP | disclosed |
| US-5736385-A | NITRILASE OR NITRILE HYDRATASE HYDROLYSIS OF A CYANOHYDRIN WHILE AUTOMATICALLY CONTROLLING CYANOHYDRIN CONCENTRATION | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1998-04-07 | — | — | US | disclosed |
| EP-0711836-A1 | Method of producing optically active alpha-hydroxy acid or alpha-hydroxyamide | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1996-05-15 | — | — | EP | disclosed |