Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL78800 | 0.89 | ALDH1A1 (0.53) | ALDH1A1HIF1AVCAM1TDP1MAPK1 | |
| SCHEMBL29648906 | 0.85 | MAPK1 (0.44) | TDP1MAPK1CYP3A4TSHRTRPA1 | |
| SCHEMBL60206 | 0.85 | MAPK1 (0.44) | TDP1MAPK1CYP3A4TSHRTRPA1 | |
| SCHEMBL332231 | 0.84 | SIRT6 (0.45) | ALDH1A1TDP1MAPK1LMNAHTT | |
| SCHEMBL10763991 | 0.84 | KIF11 (0.43) | ALDH1A1HIF1ATDP1MAPK1LMNA | |
| SCHEMBL7731260 | 0.78 | PLAU (0.43) | ALDH1A1HIF1AVCAM1TDP1MAPK1 | |
| SCHEMBL11220630 | 0.74 | TSHR (0.47) | ALDH1A1TDP1MAPK1ATMLMNA | |
| SCHEMBL30196175 | 0.73 | KIF11 (0.45) | TDP1MAPK1CYP3A4TSHRTRPA1 | |
| SCHEMBL4462791 | 0.73 | KIF11 (0.45) | TDP1MAPK1CYP3A4TSHRTRPA1 | |
| SCHEMBL10652954 | 0.73 | MAPK1 (0.42) | ALDH1A1HIF1AVCAM1TDP1MAPK1 |
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 |