Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 3/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.44 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.44 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.44 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28650574 | 0.83 | TAAR1 (0.55) | CNR1IDO1GPR84ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL28654800 | 0.82 | HTT (0.54) | CNR1IDO1GPR84ALDH1A1HPGD | |
| SCHEMBL11621292 | 0.80 | IDO1 (0.65) | CNR1IDO1GPR84MAPK1CYP1A2 | |
| SCHEMBL680436 | 0.80 | TAAR1 (0.60) | CNR1IDO1GPR84ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL20529751 | 0.78 | MAPK1 (0.52) | CNR1IDO1GPR84ALDH1A1HPGD | |
| SCHEMBL2856783 | 0.76 | CNR1 (0.51) | CNR1IDO1GPR84ALDH1A1HPGD | |
| SCHEMBL14438295 | 0.76 | MEN1 (0.57) | CNR1IDO1GPR84ALDH1A1HPGD | |
| SCHEMBL16212284 | 0.76 | ALDH1A1 (0.56) | CNR1IDO1GPR84ALDH1A1HPGD | |
| SCHEMBL6888349 | 0.75 | TAAR1 (0.64) | CNR1IDO1GPR84TAAR1PLAAT3 | |
| SCHEMBL3529974 | 0.74 | HPGD (0.67) | CNR1ALDH1A1HPGDTAAR1HTT |
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 |