Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TACR1 | P25103 | 2/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 2/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL615702 | 1.00 | KDM4E (0.46) | KDM4ECASP1MAPTTACR1CACNA1B | |
| SCHEMBL615701 | 1.00 | KDM4E (0.46) | KDM4ECASP1MAPTTACR1CACNA1B | |
| SCHEMBL30480726 | 0.83 | MEN1 (0.44) | KDM4EMAPTCACNA1BALDH1A1SMN1; SMN2 | |
| SCHEMBL21645653 | 0.83 | CTSS (0.44) | KDM4EMAPTALDH1A1SMN1; SMN2ADRB2 | |
| SCHEMBL21645651 | 0.83 | CTSS (0.44) | KDM4EMAPTALDH1A1SMN1; SMN2ADRB2 | |
| SCHEMBL613831 | 0.83 | MEN1 (0.44) | KDM4EMAPTCACNA1BALDH1A1SMN1; SMN2 | |
| SCHEMBL613832 | 0.83 | MEN1 (0.44) | KDM4EMAPTCACNA1BALDH1A1SMN1; SMN2 | |
| SCHEMBL23797269 | 0.77 | MAPT (0.47) | KDM4EMAPTCACNA1BALDH1A1SMN1; SMN2 | |
| SCHEMBL23797268 | 0.77 | MAPT (0.47) | KDM4EMAPTCACNA1BALDH1A1SMN1; SMN2 | |
| SCHEMBL18526468 | 0.74 | PPARA (0.55) | MAPTTACR1CACNA1BCTSSCTSL |
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-107973809-B | Macrocyclic compounds as factor XIA inhibitors | 百时美施贵宝公司 | 2023-06-30 | — | — | CN | disclosed |