Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.52 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | AGXT | P21549 | 2/20 | 0.50 |
| ▸ | MIF | P14174 | 1/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 4/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29846287 | 1.00 | TAAR1 (0.52) | TAAR1IDO1AGXTMIFMAPK8 | |
| SCHEMBL6888645 | 0.83 | SMN1; SMN2 (0.42) | TAAR1IDO1AGXTMAPK8MAOB | |
| SCHEMBL28217427 | 0.80 | TAAR1 (0.47) | TAAR1IDO1AGXTMIFMAOB | |
| SCHEMBL2029757 | 0.80 | MAPK8 (0.52) | TAAR1IDO1AGXTMAPK8MAOB | |
| SCHEMBL27791783 | 0.80 | TAAR1 (0.52) | TAAR1IDO1AGXTMIFMAPK8 | |
| SCHEMBL1623365 | 0.80 | HTR3E (0.61) | TAAR1IDO1AGXTMIFMAPK8 | |
| SCHEMBL14109100 | 0.79 | IDO1 (0.43) | TAAR1IDO1MAPK8 | |
| Hydrochloric Acid SCHEMBL214750 | 0.78 | HTR3E (0.59) | TAAR1IDO1AGXTMAPK8MAOB | |
| SCHEMBL100935 | 0.77 | TAAR1 (0.50) | TAAR1IDO1AGXTMIFMAPK8 | |
| SCHEMBL100936 | 0.77 | TAAR1 (0.50) | TAAR1IDO1AGXTMIFMAPK8 |
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 4 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 |
| CN-114845709-A | MRGPRX2 antagonists for use in treating inflammatory disorders | 德米拉公司 | 2022-08-02 | — | — | CN | disclosed |