Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.52 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.52 |
| ▸ | HTR3B | O95264 | 1/20 | 0.52 |
| ▸ | HTR3A | P46098 | 1/20 | 0.52 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.52 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.43 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.43 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.43 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL6895734 | 0.96 | IDO1 (0.55) | IDO1TAAR1HTR3EHTR3BHTR3A | |
| SCHEMBL28210144 | 0.80 | IDO1 (0.50) | IDO1TAAR1HTR3EHTR3BHTR3A | |
| SCHEMBL6892256 | 0.78 | TAAR1 (0.52) | IDO1TAAR1MAOBAOC3FFAR1 | |
| SCHEMBL4847288 | 0.78 | IDO1 (0.58) | IDO1TAAR1HTR3EHTR3BHTR3A | |
| SCHEMBL1990535 | 0.78 | CYP2C9 (0.57) | IDO1TAAR1HTR3EHTR3BHTR3A | |
| SCHEMBL1999167 | 0.77 | IDO1 (0.52) | IDO1TAAR1HTR3EHTR3BHTR3A | |
| SCHEMBL3651336 | 0.77 | KEAP1 (0.54) | TAAR1HTR3AMAOBFFAR1HDAC3 | |
| Hydrochloric Acid SCHEMBL4715995 | 0.77 | IDO1 (0.56) | IDO1TAAR1HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL7874999 | 0.76 | KEAP1 (0.52) | TAAR1HTR3AMAOBFFAR1HDAC3 | |
| SCHEMBL4941032 | 0.75 | HTR3E (0.53) | IDO1TAAR1HTR3EHTR3BHTR3A |
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 |