Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CA2 | P00918 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Methyl Benzoate SCHEMBL27650205 | 0.83 | TSHR (0.56) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Acetophenone SCHEMBL27779041 | 0.81 | SMN1; SMN2 (0.46) | TSHRRAB9AMAPTL3MBTL1SMN1; SMN2 | |
| SCHEMBL10322890 | 0.80 | NPSR1 (0.48) | ALDH1A1PTPN1MEN1KMT2APOLB | |
| Methyl Benzoate SCHEMBL28244665 | 0.79 | TSHR (0.76) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL29831725 | 0.78 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL28537345 | 0.78 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL28945661 | 0.78 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL1867855 | 0.78 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL1332323 | 0.78 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 | |
| Methyl Benzoate SCHEMBL29105567 | 0.78 | TSHR (1.00) | TSHRRAB9AMAPTL3MBTL1CASP3 |
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-102300860-B | Pyrazine Compounds As Phosphodiesterase 10 Inhibitors | AMGEN INC | 2014-08-27 | — | — | CN | disclosed |
| CN-102300860-A | Pyrazine compounds as phosphodiesterase 10 inhibitors | — | 2011-12-28 | — | — | CN | disclosed |
| CN-102015712-A | Heterocyclic compounds as adenosine receptor antagonist | ADVINUS THERAPEUTICS PVT LTD | 2011-04-13 | — | — | CN | disclosed |