Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.56 |
| ▸ | IDO1 | P14902 | 2/20 | 0.56 |
| ▸ | AGXT | P21549 | 2/20 | 0.56 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.53 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | CMA1 | P23946 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6897090 | 0.85 | TAAR1 (0.42) | TAAR1IDO1AGXTCTBP2AOC3 | |
| SCHEMBL9270423 | 0.84 | CTBP2 (0.58) | TAAR1IDO1AGXTCTBP2MAOB | |
| SCHEMBL1326762 | 0.82 | CTBP2 (0.60) | TAAR1IDO1AGXTCTBP2MAPK8 | |
| SCHEMBL7638555 | 0.82 | TAAR1 (0.56) | TAAR1IDO1AGXTCTBP2AOC3 | |
| Hydrochloric Acid SCHEMBL7851869 | 0.81 | IDO1 (0.57) | TAAR1IDO1AGXTCTBP2AOC3 | |
| Hydrochloric Acid SCHEMBL13727108 | 0.81 | CTBP2 (0.59) | TAAR1IDO1AGXTCTBP2MAPK8 | |
| SCHEMBL12107984 | 0.81 | TAAR1 (0.54) | TAAR1IDO1AGXTCTBP2AOC3 | |
| SCHEMBL9293412 | 0.81 | MAOB (0.47) | MAOB | |
| SCHEMBL14396217 | 0.81 | TAAR1 (0.54) | TAAR1IDO1AGXTCTBP2AOC3 | |
| SCHEMBL437370 | 0.80 | MAPK8 (0.57) | CTBP2MAPK8 |
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 | 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 |