Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL11301466 | 0.88 | HDAC1 (0.44) | ALDH1A1MAPK1 | |
| SCHEMBL11296058 | 0.80 | MEN1 (0.47) | ROCK2OPRD1ALDH1A1L3MBTL1GAA | |
| SCHEMBL11301119 | 0.79 | MAPT (0.40) | ROCK2OPRD1ALDH1A1MAPTRAB9A | |
| SCHEMBL11300531 | 0.77 | HDAC1 (0.42) | — | |
| SCHEMBL11301107 | 0.74 | TDP1 (0.36) | ROCK2OPRD1ALDH1A1L3MBTL1GAA | |
| SCHEMBL11295039 | 0.72 | PSEN1 (0.40) | GAAKMT2ATSHRSMN1; SMN2 | |
| SCHEMBL11299441 | 0.71 | MAPK14 (0.37) | OPRD1L3MBTL1GAAMAPTMEN1 | |
| SCHEMBL11296532 | 0.69 | SLC6A3 (0.40) | OPRD1ALDH1A1L3MBTL1GAAMAPT | |
| SCHEMBL11296506 | 0.69 | ALOX15 (0.44) | ALDH1A1L3MBTL1RAB9ATSHRHTT | |
| SCHEMBL11299544 | 0.68 | HDAC1 (0.43) | — |
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 |