Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 6/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 3-Methylbutanoic Acid SCHEMBL6891960 | 0.80 | SMN1; SMN2 (0.56) | ACACBHPGDALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL30307110 | 0.79 | TSHR (0.61) | HPGDALDH1A1SMN1; SMN2POLB | |
| SCHEMBL4986978 | 0.77 | CYP4F2 (0.58) | HPGDALDH1A1SMN1; SMN2CNR2POLB | |
| SCHEMBL181473 | 0.77 | HPGD (0.61) | HPGDALDH1A1NPSR1SMN1; SMN2POLB | |
| SCHEMBL503308 | 0.73 | PLA2G4B (0.58) | HPGDALDH1A1SMN1; SMN2CNR2POLB | |
| SCHEMBL2628188 | 0.73 | POLB (0.59) | HPGDALDH1A1SMN1; SMN2CNR2POLB | |
| SCHEMBL28512553 | 0.72 | NPC1 (0.64) | HPGDALDH1A1NPSR1POLBNPC1 | |
| SCHEMBL11985729 | 0.72 | ALDH1A1 (0.56) | HPGDALDH1A1SMN1; SMN2POLBNPC1 | |
| SCHEMBL10884546 | 0.72 | NQO1 (0.54) | HPGDALDH1A1SMN1; SMN2CNR2POLB | |
| SCHEMBL2126901 | 0.72 | NQO1 (0.54) | HPGDALDH1A1SMN1; SMN2CNR2POLB |
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 |