Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.34 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 2/20 | 0.32 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | EDNRB | P24530 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29200117 | 0.81 | MAOB (0.38) | KDM4EADORA3CYP19A1MAOBSMN1; SMN2 | |
| SCHEMBL29200090 | 0.79 | NR3C2 (0.38) | KDM4ECYP19A1MAOBHSD17B10SMN1; SMN2 | |
| SCHEMBL29200101 | 0.77 | MAOB (0.35) | KDM4ECYP19A1MAOBF10SMN1; SMN2 | |
| SCHEMBL29200110 | 0.77 | MAOB (0.35) | KDM4EMAOBSMN1; SMN2HTR1AHTR7 | |
| SCHEMBL29200092 | 0.76 | MAOB (0.42) | KDM4ECYP19A1MAOBSMN1; SMN2PPARG | |
| SCHEMBL29200105 | 0.75 | MAOB (0.37) | KDM4ECYP19A1MAOBSMN1; SMN2PPARG | |
| SCHEMBL29200114 | 0.74 | ALDH1A1 (0.37) | KDM4EMAOBHSD17B10SMN1; SMN2PPARG | |
| SCHEMBL29200103 | 0.74 | GSTP1 (0.35) | MAOBHSD17B10KLK5SMN1; SMN2PPARG | |
| SCHEMBL7131700 | 0.74 | KLK5 (0.40) | KDM4EADORA3ARCYP19A1MAOB | |
| SCHEMBL7077595 | 0.74 | MAOB (0.38) | KDM4EADORA3ARCYP19A1MAOB |
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-115991694-B | Chiral sulfone compound and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2024-03-19 | — | — | CN | disclosed |