Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 3/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL305165 | 0.79 | ERN1 (0.46) | ALDH1A1HPGDHTTGAANPC1 | |
| SCHEMBL10147428 | 0.78 | TDP1 (0.44) | ALDH1A1HPGDRAD52HTTGAA | |
| SCHEMBL27973657 | 0.77 | ALDH1A1 (0.42) | ALDH1A1HPGDRAD52GAAKDM4E | |
| SCHEMBL7168641 | 0.77 | ALDH1A1 (0.50) | ALDH1A1HPGDRAD52HTTGAA | |
| SCHEMBL20241764 | 0.76 | ALDH1A1 (0.68) | ALDH1A1HPGDRAD52GAAKDM4E | |
| SCHEMBL19096781 | 0.75 | FLT1 (0.42) | ALDH1A1HPGDRAD52GAAKDM4E | |
| SCHEMBL6843558 | 0.75 | ALDH1A1 (0.39) | ALDH1A1HPGDRAD52HTTGAA | |
| SCHEMBL6897299 | 0.75 | RAB9A (0.47) | ALDH1A1HPGDRAD52HTTGAA | |
| SCHEMBL4302622 | 0.75 | ALDH1A1 (0.42) | ALDH1A1HPGDRAD52GAANPC1 | |
| SCHEMBL14800110 | 0.74 | ALDH1A1 (0.48) | ALDH1A1HPGDHTTGAAKDM4E |
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 |