Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | PLK1 | P53350 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | HPGDS | O60760 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11296506 | 0.89 | ALOX15 (0.44) | ALOX15HTTNPC1RAB9AHPGDS | |
| SCHEMBL11296058 | 0.83 | MEN1 (0.47) | HTTRAB9APOLBALDH1A1MEN1 | |
| SCHEMBL11296532 | 0.81 | SLC6A3 (0.40) | RAB9AALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL11295039 | 0.80 | PSEN1 (0.40) | KMT2AGAASMN1; SMN2 | |
| SCHEMBL11299441 | 0.76 | MAPK14 (0.37) | POLBMEN1MAPTKMT2AOPRD1 | |
| SCHEMBL11304336 | 0.74 | HDAC6 (0.42) | — | |
| SCHEMBL30718649 | 0.74 | ALOX15 (1.00) | ALOX15HTTPLK1NPC1RAB9A | |
| SCHEMBL265015 | 0.74 | ALOX15 (1.00) | ALOX15HTTPLK1NPC1RAB9A | |
| SCHEMBL11296615 | 0.73 | FLT1 (0.38) | NPC1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL27928930 | 0.72 | ALOX15 (0.97) | ALOX15HTTPLK1NPC1RAB9A |
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 |