Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA5A | P35218 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL681498 | 0.81 | CHRM2 (0.61) | SMN1; SMN2HTTMAPTCA12CA1 | |
| SCHEMBL834551 | 0.79 | TAAR1 (0.73) | CA12CA1CA2CA9CA14 | |
| SCHEMBL23590401 | 0.79 | SMN1; SMN2 (0.62) | SMN1; SMN2HTTMAPTCA12CA1 | |
| SCHEMBL18065436 | 0.79 | TAAR1 (0.61) | SMN1; SMN2HTTMAPTCA12CA1 | |
| SCHEMBL7528515 | 0.79 | SMN1; SMN2 (0.58) | SMN1; SMN2HTTMAPTCA12CA1 | |
| Hydrochloric Acid SCHEMBL1029558 | 0.79 | CHRM2 (0.59) | SMN1; SMN2HTTMAPTCA12CA1 | |
| SCHEMBL6888280 | 0.78 | ALDH1A1 (0.57) | HTTMAPTCA12CA1CA2 | |
| SCHEMBL6687730 | 0.78 | MAPT (0.86) | SMN1; SMN2HTTMAPTCA12CA1 | |
| SCHEMBL5652930 | 0.78 | SMN1; SMN2 (0.59) | SMN1; SMN2HTTMAPTCA12CA1 | |
| Hydrochloric Acid SCHEMBL11525483 | 0.78 | CA12 (0.59) | SMN1; SMN2HTTMAPTCA12CA1 |
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 |