Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ACACB | O00763 | 2/20 | 0.50 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 1/20 | 0.48 |
| ▸ | RXRB | P28702 | 1/20 | 0.48 |
| ▸ | RXRG | P48443 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | LTB4R | Q15722 | 3/20 | 0.47 |
| ▸ | LTB4R2 | Q9NPC1 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL503308 | 0.88 | PLA2G4B (0.58) | SMN1; SMN2ALDH1A1POLBCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL2528810 | 0.87 | PLA2G4B (0.56) | SMN1; SMN2ALDH1A1POLBCYP2C9CYP2C19 | |
| SCHEMBL469914 | 0.83 | RXRA (0.63) | SMN1; SMN2ALDH1A1POLBCYP2C9CYP2C19 | |
| SCHEMBL11969487 | 0.81 | FFAR1 (0.64) | ACACB | |
| SCHEMBL3644918 | 0.80 | MAPT (0.51) | SMN1; SMN2POLBACACBPLA2G4BHPGD | |
| SCHEMBL6891963 | 0.80 | ACACB (0.49) | SMN1; SMN2ALDH1A1POLBCYP2C9CYP2C19 | |
| Phenylacetic Acid SCHEMBL28235727 | 0.78 | AKR1B1 (0.68) | SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL14004313 | 0.78 | PLA2G4B (0.48) | POLBPLA2G4BRXRARXRBLTB4R | |
| SCHEMBL3901613 | 0.78 | MAPK1 (0.66) | ALDH1A1PLA2G4BLTB4RLTB4R2MAPK1 | |
| SCHEMBL8081319 | 0.76 | FFAR1 (0.61) | ALDH1A1POLBPLA2G4BHPGDTDP1 |
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 |