Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.43 |
| ▸ | CES2 | O00748 | 3/20 | 0.42 |
| ▸ | CES1 | P23141 | 3/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1718375 | 0.89 | DGAT1 (0.41) | PARP1CES2CES1DGAT1MAP2K1 | |
| SCHEMBL1871364 | 0.86 | POLB (0.42) | PARP1DGAT1MAP2K1GAAMAPT | |
| SCHEMBL1003689 | 0.80 | TSHR (0.43) | PARP1DGAT1MAP2K1MAPTKMT2A | |
| SCHEMBL4047607 | 0.76 | DGAT1 (0.50) | PARP1DGAT1MAP2K1MAPTKMT2A | |
| SCHEMBL1003390 | 0.75 | CES2 (0.44) | PARP1CES2CES1DGAT1MAP2K1 | |
| SCHEMBL30783596 | 0.74 | DGAT1 (0.44) | PARP1CES2CES1DGAT1MAP2K1 | |
| Hydrochloric Acid SCHEMBL29810617 | 0.73 | CES2 (0.43) | PARP1CES2CES1DGAT1MAP2K1 | |
| SCHEMBL30159044 | 0.73 | CES2 (0.39) | CES2CES1HCAR1PKMMAPT | |
| SCHEMBL31222695 | 0.73 | PARP1 (0.50) | PARP1CES2CES1DGAT1HCAR1 | |
| SCHEMBL12607365 | 0.73 | PARP1 (0.50) | PARP1CES2CES1DGAT1HCAR1 |
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 6 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 | claimed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | claimed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | claimed |
| 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 |