Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GHSR | Q92847 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11295039 | 0.89 | PSEN1 (0.40) | SLC6A3GAATSHRKCNH2KMT2A | |
| SCHEMBL11296058 | 0.88 | MEN1 (0.47) | OPRM1OPRD1OPRK1MAPTGAA | |
| SCHEMBL11298752 | 0.86 | HDAC8 (0.42) | GRM5 | |
| SCHEMBL11299441 | 0.85 | MAPK14 (0.37) | SLC6A3OPRM1OPRD1OPRK1MAPK14 | |
| SCHEMBL11296615 | 0.84 | FLT1 (0.38) | SLC6A3MAPK14MAPTKCNH2MEN1 | |
| SCHEMBL11301393 | 0.81 | ALOX15 (0.56) | OPRD1MAPTGAAMEN1KMT2A | |
| SCHEMBL11296506 | 0.80 | ALOX15 (0.44) | TSHRALDH1A1KDM4ERAB9AL3MBTL1 | |
| SCHEMBL11297424 | 0.77 | HDAC1 (0.43) | OPRM1OPRD1OPRK1MAPTALDH1A1 | |
| SCHEMBL11299470 | 0.77 | PARP1 (0.33) | GAAGHSRALDH1A1TACR1L3MBTL1 | |
| SCHEMBL11304382 | 0.76 | HDAC8 (0.38) | MAPK1GRM5ALDH1A1RAB9ASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2665706-A1 | NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2013-11-27 | — | — | EP | disclosed |
| WO-2012098132-A1 | NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-26 | — | — | WO | disclosed |