Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | DGKA | P23743 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | PAM | P19021 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | CTSG | P08311 | 1/20 | 0.32 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.32 |
| ▸ | CMA1 | P23946 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19863302 | 1.00 | ALDH1A1 (0.43) | ALDH1A1DGKATSHRLMNANFKB1 | |
| SCHEMBL14938147 | 0.97 | ALDH1A1 (0.46) | ALDH1A1DGKATSHRLMNANFKB1 | |
| SCHEMBL28812961 | 0.89 | DGKA (0.57) | ALDH1A1DGKATSHRLMNAPAM | |
| SCHEMBL27238986 | 0.89 | DGKA (0.57) | ALDH1A1DGKATSHRLMNAPAM | |
| SCHEMBL3173473 | 0.88 | ALDH1A1 (0.48) | ALDH1A1DGKATSHRLMNAPRSS1 | |
| SCHEMBL25304019 | 0.85 | ALDH1A1 (0.54) | ALDH1A1DGKATSHRLMNAPAM | |
| SCHEMBL27277210 | 0.85 | PTGS1 (0.41) | ALDH1A1DGKATSHRLMNAPAM | |
| SCHEMBL27895346 | 0.85 | MGAM (0.43) | ALDH1A1DGKATSHRLMNAPAM | |
| SCHEMBL4924469 | 0.81 | DGKA (0.38) | ALDH1A1DGKATSHRLMNANFKB1 | |
| SCHEMBL18009957 | 0.81 | DGKA (0.48) | ALDH1A1DGKATSHRLMNAPAM |
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 | 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 |