Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 1/20 | 0.31 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8366458 | 0.91 | ALDH1A1 (0.48) | ALDH1A1TDP1MMP1MMP2MMP3 | |
| SCHEMBL29195613 | 0.83 | ALDH1A1 (0.62) | ALDH1A1TDP1LMNASLC15A2TSHR | |
| SCHEMBL248143 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TDP1MMP1MMP2MMP3 | |
| SCHEMBL339534 | 0.83 | ALDH1A1 (0.62) | ALDH1A1TDP1LMNASLC15A2TSHR | |
| SCHEMBL18127624 | 0.82 | ALDH1A1 (0.44) | ALDH1A1TDP1MMP1MMP2MMP3 | |
| SCHEMBL6970242 | 0.82 | ALDH1A1 (0.41) | ALDH1A1TDP1LMNASLC15A2TSHR | |
| SCHEMBL28289780 | 0.81 | ALDH1A1 (0.59) | ALDH1A1TDP1LMNASLC15A2TSHR | |
| SCHEMBL386476 | 0.80 | ALDH1A1 (0.68) | ALDH1A1TDP1MMP1MMP2MMP3 | |
| SCHEMBL28583742 | 0.80 | CA1 (0.44) | ALDH1A1TDP1MMP1MMP2MMP3 | |
| SCHEMBL18127622 | 0.80 | LMNA (0.45) | ALDH1A1TDP1MMP1MMP2MMP3 |
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 |