Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.73 |
| ▸ | CES1 | P23141 | 2/20 | 0.73 |
| ▸ | NPC1 | O15118 | 3/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | MAOB | P27338 | 1/20 | 0.62 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.61 |
| ▸ | PLK1 | P53350 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | NQO1 | P15559 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9728442 | 1.00 | CES2 (0.73) | CES2CES1NPC1KDM4EALDH1A1 | |
| SCHEMBL1367365 | 0.92 | PARP10 (0.70) | CES2CES1NPC1KDM4EALDH1A1 | |
| SCHEMBL11576081 | 0.89 | KMT2A (0.69) | CES2CES1NPC1KDM4EALDH1A1 | |
| SCHEMBL14507040 | 0.85 | CES2 (1.00) | CES2CES1PARP10PLK1RAB9A | |
| SCHEMBL557152 | 0.85 | CES2 (1.00) | CES2CES1PARP10PLK1RAB9A | |
| SCHEMBL21128712 | 0.85 | NPC1 (0.67) | NPC1KDM4EALDH1A1CYP1A2MAOB | |
| SCHEMBL11710709 | 0.85 | NPC1 (0.62) | CES2CES1NPC1KDM4EALDH1A1 | |
| SCHEMBL11710716 | 0.85 | NPC1 (0.62) | CES2CES1NPC1KDM4EALDH1A1 | |
| SCHEMBL13268807 | 0.85 | LTA4H (0.66) | NPC1KDM4EALDH1A1MAOBPARP10 | |
| SCHEMBL460957 | 0.85 | CES2 (0.63) | CES2CES1NPC1ALDH1A1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-4318911-A | 5,6-Diaryl-1,2,4-triazines as topical antithrombotic agents | ELI LILLY AND COMPANY (US) | 1982-03-09 | — | — | US | disclosed |