Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | MMP13 | P45452 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.55 |
| ▸ | IDO1 | P14902 | 2/20 | 0.55 |
| ▸ | AGXT | P21549 | 2/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6892940 | 1.00 | CHRM2 (0.60) | CHRM2ALDH1A1CHRM1CHRM3HTT | |
| SCHEMBL1134127 | 0.84 | CHRM2 (0.74) | CHRM2ALDH1A1CHRM1CHRM3HTT | |
| SCHEMBL27962852 | 0.82 | CHRM2 (0.62) | CHRM2ALDH1A1CHRM1CHRM3HTT | |
| SCHEMBL297410 | 0.82 | CHRM2 (0.68) | CHRM2ALDH1A1CHRM1CHRM3HTT | |
| Hydrochloric Acid SCHEMBL6122475 | 0.82 | CHRM2 (0.72) | CHRM2ALDH1A1CHRM1CHRM3HTT | |
| SCHEMBL18685365 | 0.82 | CHRM2 (0.62) | CHRM2ALDH1A1CHRM1CHRM3HTT | |
| SCHEMBL7738530 | 0.82 | CHRM2 (0.62) | CHRM2ALDH1A1CHRM1CHRM3HTT | |
| SCHEMBL29370584 | 0.82 | CHRM2 (0.68) | CHRM2ALDH1A1CHRM1CHRM3HTT | |
| SCHEMBL6896901 | 0.81 | CHRM2 (0.72) | CHRM2CHRM1CHRM3TAAR1IDO1 | |
| SCHEMBL4916089 | 0.81 | CHRM2 (0.81) | CHRM2ALDH1A1CHRM1CHRM3HTT |
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 |