Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MYOC | Q99972 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Nitroscanate SCHEMBL381451 | 0.94 | HSPB1 (0.56) | ALDH1A1HSPB1KDM4EMEN1KMT2A | |
| SCHEMBL206480 | 0.85 | PLAU (0.50) | ALDH1A1HSPB1MEN1KMT2AMAPT | |
| Isothiocyanate SCHEMBL6153714 | 0.84 | HSPB1 (0.56) | ALDH1A1HSPB1KDM4EMEN1KMT2A | |
| SCHEMBL3823434 | 0.83 | MIF (0.67) | MIF | |
| SCHEMBL457863 | 0.83 | HSPB1 (0.68) | ALDH1A1HSPB1KDM4EMEN1KMT2A | |
| SCHEMBL11593921 | 0.81 | HSPB1 (0.56) | ALDH1A1HSPB1KDM4EMEN1KMT2A | |
| Nitrobenzene SCHEMBL27619235 | 0.80 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2AMAPTMAPK1 | |
| Diphenylether SCHEMBL28998326 | 0.78 | ALDH1A1 (0.73) | ALDH1A1HSPB1KDM4EMEN1KMT2A | |
| SCHEMBL11708240 | 0.77 | HSPB1 (0.64) | ALDH1A1HSPB1KDM4EMEN1KMT2A | |
| Amoscanate SCHEMBL159478 | 0.76 | HPGD (0.56) | ALDH1A1KDM4EMEN1KMT2AMAPT |
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 |