Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | MGAM | O43451 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | SI | P14410 | 1/20 | 0.53 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL20582728 | 0.84 | POLB (0.80) | POLBKDM4EMAPTMGAMGAA | |
| Coumarin-3-Carboxylic Acid SCHEMBL6897213 | 0.82 | MAOB (0.62) | POLBKDM4EMAPTMGAMGAA | |
| SCHEMBL7682500 | 0.77 | POLB (0.60) | POLBKDM4EMAPTMGAMGAA | |
| SCHEMBL28812863 | 0.77 | KDM4E (0.77) | POLBKDM4EMAPTHPGDMEN1 | |
| SCHEMBL2032560 | 0.77 | MEN1 (0.73) | POLBKDM4EMAPTMGAMGAA | |
| SCHEMBL27951953 | 0.72 | POLB (0.75) | POLBKDM4EMAPTGAAHPGD | |
| SCHEMBL9710536 | 0.72 | ALDH1A1 (0.57) | MAPTGAAMEN1KMT2ALMNA | |
| SCHEMBL3024334 | 0.72 | MGAM (0.64) | POLBMAPTMGAMGAASI | |
| SCHEMBL3024329 | 0.72 | MGAM (0.64) | POLBMAPTMGAMGAASI | |
| SCHEMBL9523638 | 0.70 | MAPT (0.67) | POLBKDM4EMAPTGAAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |