Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HRH1 | P35367 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | APP | P05067 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL1921574 | 0.83 | HRH3 (0.70) | HRH3ALDH1A1LMNATAAR1ALOX15 | |
| SCHEMBL23053146 | 0.81 | CYP1A2 (0.69) | HRH3ALDH1A1LMNATAAR1ALOX15 | |
| SCHEMBL230753 | 0.79 | HRH1 (0.73) | HRH3ALDH1A1LMNATAAR1ALOX15 | |
| SCHEMBL29485678 | 0.79 | HRH1 (0.73) | HRH3ALDH1A1LMNATAAR1ALOX15 | |
| Betahistine SCHEMBL125582 | 0.79 | HRH3 (1.00) | HRH3ALDH1A1LMNATAAR1ALOX15 | |
| Betahistine SCHEMBL28346535 | 0.79 | HRH3 (1.00) | HRH3ALDH1A1LMNATAAR1ALOX15 | |
| Betahistine SCHEMBL29354603 | 0.79 | HRH3 (1.00) | HRH3ALDH1A1LMNATAAR1ALOX15 | |
| SCHEMBL11076804 | 0.79 | HRH3 (0.66) | HRH3ALDH1A1LMNATAAR1ALOX15 | |
| SCHEMBL29562166 | 0.79 | HRH3 (0.66) | HRH3ALDH1A1LMNATAAR1ALOX15 | |
| SCHEMBL18226631 | 0.79 | HRH3 (0.66) | HRH3ALDH1A1LMNATAAR1ALOX15 |
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 |