Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.73 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | FLT1 | P17948 | 1/20 | 0.49 |
| ▸ | FLT4 | P35916 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28310341 | 0.86 | KMT2A (0.58) | KMT2AHSD17B10MAPTHTTMAPK1 | |
| Aklomide SCHEMBL29637033 | 0.84 | KMT2A (1.00) | KMT2AHSD17B10MAPTHTTGAA | |
| Aklomide SCHEMBL328368 | 0.84 | KMT2A (1.00) | KMT2AHSD17B10MAPTHTTGAA | |
| Aklomide SCHEMBL29288677 | 0.83 | KMT2A (0.97) | KMT2AHSD17B10MAPTHTTGAA | |
| SCHEMBL3339968 | 0.80 | KMT2A (0.69) | KMT2AHSD17B10MAPTHTTGAA | |
| SCHEMBL3339971 | 0.80 | KMT2A (0.69) | KMT2AHSD17B10MAPTHTTGAA | |
| SCHEMBL10967272 | 0.79 | ALDH1A1 (0.58) | KMT2AHSD17B10MAPTHTTGAA | |
| SCHEMBL752917 | 0.79 | KMT2A (0.72) | KMT2AHSD17B10MAPTHTTGAA | |
| SCHEMBL231457 | 0.79 | KMT2A (0.72) | KMT2AHSD17B10MAPTHTTGAA | |
| SCHEMBL9580943 | 0.79 | GAA (0.55) | KMT2AMAPTHTTGAAMAPK1 |
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 |