Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.39 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.35 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 3/20 | 0.35 |
| ▸ | EPRS1 | P07814 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.32 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL31231675 | 0.85 | ALDH1A1 (0.44) | KDM1ADGAT1ALDH1A1NPFFR1NPFFR2 | |
| SCHEMBL1330833 | 0.81 | DGAT1 (0.59) | KDM1ADGAT1NPFFR1NPFFR2CES2 | |
| SCHEMBL16527182 | 0.79 | IDO1 (0.43) | ALDH1A1CES2HPGDRAD52 | |
| SCHEMBL29333933 | 0.78 | CES2 (0.46) | KDM1ADGAT1CES2EPRS1HPGD | |
| SCHEMBL6893498 | 0.78 | GAA (0.41) | ALDH1A1CES2TMPRSS4 | |
| SCHEMBL257339 | 0.77 | EPRS1 (0.51) | KDM1ADGAT1ALDH1A1CES2EPRS1 | |
| SCHEMBL28299420 | 0.77 | KDM1A (0.42) | KDM1ADGAT1NPFFR1NPFFR2CES2 | |
| SCHEMBL29451092 | 0.77 | EPRS1 (0.51) | KDM1ADGAT1ALDH1A1CES2EPRS1 | |
| SCHEMBL8479105 | 0.76 | KDM1A (0.35) | KDM1ADGAT1ALDH1A1NPFFR1NPFFR2 | |
| SCHEMBL25532291 | 0.76 | CES2 (0.47) | KDM1ADGAT1CES2EPRS1HPGD |
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 | 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 |