Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 7/20 | 0.41 |
| ▸ | KDM1A | O60341 | 4/20 | 0.41 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3058689 | 0.86 | MAPT (0.50) | MAPTL3MBTL1MAPK1TDP1ALOX5 | |
| SCHEMBL7102594 | 0.82 | MAOB (0.49) | TDP1MAOBHTR1ARAB9ASMN1; SMN2 | |
| SCHEMBL6195407 | 0.78 | MAOB (0.51) | MAPTL3MBTL1MAPK1TDP1MAOB | |
| SCHEMBL7431199 | 0.78 | MAPT (0.43) | MAPTL3MBTL1MAPK1TDP1ALOX5 | |
| SCHEMBL7285346 | 0.78 | L3MBTL1 (0.52) | MAPTL3MBTL1MAPK1TDP1MAOB | |
| SCHEMBL17260912 | 0.78 | MAPT (0.43) | MAPTL3MBTL1MAPK1TDP1ALOX5 | |
| SCHEMBL9036408 | 0.77 | IDO1 (0.45) | MAOB | |
| SCHEMBL28414222 | 0.74 | MAPK1 (0.43) | MAPTL3MBTL1MAPK1TDP1MAOB | |
| SCHEMBL9199334 | 0.74 | NR4A2 (0.47) | MAOBSLC6A2SLC6A3LMNACYP1A2 | |
| SCHEMBL4535895 | 0.73 | APP (0.30) | — |
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-114057743-A | Process for preparing imidazotriazine and pyrrolopyrimidine derivatives as inhibitors of KRAS G12C | 百济神州(北京)生物科技有限公司 | 2022-02-18 | — | — | CN | disclosed |
| WO-2015173035-A1 | HERBICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2015-11-19 | — | — | WO | disclosed |
| CN-1046903-A | Process for preparing heterocyclic ether derivatives | ICI PLC (GB) | 1990-11-14 | — | — | CN | disclosed |