Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.72 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.72 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.72 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.61 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.55 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.55 |
| ▸ | BCHE | P06276 | 2/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.51 |
| ▸ | AGXT | P21549 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL18114970 | 0.85 | CHRM2 (0.77) | CHRM2CHRM1CHRM3TAAR1MTNR1A | |
| SCHEMBL680560 | 0.84 | CHRM2 (1.00) | CHRM2CHRM1CHRM3TAAR1MTNR1A | |
| SCHEMBL28129389 | 0.84 | CHRM2 (0.74) | CHRM2CHRM1CHRM3TAAR1MTNR1A | |
| SCHEMBL30771638 | 0.84 | CHRM2 (1.00) | CHRM2CHRM1CHRM3TAAR1MTNR1A | |
| SCHEMBL723511 | 0.82 | TAAR1 (0.77) | CHRM2CHRM1CHRM3TAAR1SIGMAR1 | |
| SCHEMBL30080050 | 0.82 | TAAR1 (0.77) | CHRM2CHRM1CHRM3TAAR1SIGMAR1 | |
| SCHEMBL25583787 | 0.82 | CHRM2 (0.72) | CHRM2CHRM1CHRM3TAAR1MTNR1A | |
| Hydrochloric Acid SCHEMBL1027479 | 0.82 | CHRM2 (0.96) | CHRM2CHRM1CHRM3TAAR1MTNR1A | |
| SCHEMBL6892944 | 0.81 | CHRM2 (0.60) | CHRM2CHRM1CHRM3TAAR1IDO1 | |
| SCHEMBL6892940 | 0.81 | CHRM2 (0.60) | CHRM2CHRM1CHRM3TAAR1IDO1 |
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 |