Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28322155 | 0.83 | CYP1A2 (0.47) | SMN1; SMN2KDM4ENPSR1MAPTCYP1A2 | |
| SCHEMBL28323179 | 0.80 | SMN1; SMN2 (0.43) | HTTSMN1; SMN2KDM4EL3MBTL1HPGD | |
| SCHEMBL28322161 | 0.78 | SMN1; SMN2 (0.50) | HTTSMN1; SMN2KDM4EL3MBTL1MAP4K4 | |
| SCHEMBL28322154 | 0.76 | SMN1; SMN2 (0.39) | HTTSMN1; SMN2KDM4EL3MBTL1HPGD | |
| SCHEMBL28323196 | 0.75 | HTT (0.42) | HTTSMN1; SMN2KDM4EHPGDNPSR1 | |
| SCHEMBL28323172 | 0.75 | SMN1; SMN2 (0.44) | HTTSMN1; SMN2KDM4EL3MBTL1HPGD | |
| SCHEMBL21526097 | 0.73 | HPGD (0.42) | HTTSMN1; SMN2KDM4EHPGDNPSR1 | |
| Tert-Butyl Formate SCHEMBL28323199 | 0.71 | MAPT (0.35) | HTTHPGDNPSR1MAP4K4MAPT | |
| SCHEMBL21526073 | 0.70 | SMN1; SMN2 (0.44) | HTTSMN1; SMN2KDM4EL3MBTL1HPGD | |
| Hydrochloric Acid SCHEMBL21526127 | 0.69 | SMN1; SMN2 (0.43) | HTTSMN1; SMN2KDM4EL3MBTL1HPGD |
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-110198930-A | Pyrimidine derivatives | 第一三共株式会社 | 2019-09-03 | — | — | CN | disclosed |