Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CNR2 | P34972 | 3/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Benzyl Alcohol SCHEMBL28599336 | 0.92 | TSHR (0.64) | TSHRCNR2RAB9AALDH1A1L3MBTL1 | |
| P-Xylene SCHEMBL27953211 | 0.85 | TSHR (0.74) | TSHRCNR2CNR1RAB9AALDH1A1 | |
| Benzyl Alcohol SCHEMBL28267540 | 0.83 | TSHR (0.70) | TSHRRAB9AALDH1A1L3MBTL1SMN1; SMN2 | |
| P-Cymene SCHEMBL27560808 | 0.83 | LMNA (0.50) | TSHRCNR2CNR1SMN1; SMN2ACHE | |
| P-Cymene SCHEMBL8208471 | 0.81 | ACHE (0.58) | TSHRCNR2CNR1SMN1; SMN2BCHE | |
| P-Cymene SCHEMBL1292746 | 0.81 | ACHE (0.50) | TSHRCNR2SMN1; SMN2BCHEACHE | |
| SCHEMBL113930 | 0.81 | IDO1 (0.52) | TSHRRAB9AL3MBTL1SMN1; SMN2NPC1 | |
| Benzyl Alcohol SCHEMBL8776781 | 0.81 | TSHR (0.74) | TSHRRAB9AL3MBTL1SMN1; SMN2NPC1 | |
| P-Cymene SCHEMBL10942903 | 0.81 | ACHE (0.58) | TSHRCNR2CNR1SMN1; SMN2BCHE | |
| P-Cymene SCHEMBL1292882 | 0.81 | ACHE (0.47) | TSHRCNR2SMN1; SMN2BCHEACHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-113912521-A | Synthetic method of p-methylsulfonylbenzaldehyde | 山东国邦药业有限公司 | 2022-01-11 | — | — | CN | disclosed |