Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | HPGDS | O60760 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL11301767 | 0.68 | RPS6KB1 (0.42) | MTNR1AMTNR1BALDH1A1LMNA | |
| SCHEMBL1447373 | 0.67 | NPC1 (0.72) | PARP1RAB9ASMN1; SMN2NPC1ABCG2 | |
| Potassium SCHEMBL31026152 | 0.65 | NPC1 (0.70) | PARP1RAB9ASMN1; SMN2NPC1ABCG2 | |
| SCHEMBL8042418 | 0.61 | PDE4A (0.62) | MTNR1ACYP3A4ALDH1A1MAPK1LMNA | |
| SCHEMBL1268402 | 0.61 | PDE4A (0.62) | MTNR1ACYP3A4ALDH1A1MAPK1LMNA | |
| SCHEMBL8041637 | 0.61 | PDE4A (0.62) | MTNR1ACYP3A4ALDH1A1MAPK1LMNA | |
| SCHEMBL28382188 | 0.61 | PARP1 (0.56) | PARP1MTNR1AMTNR1B | |
| SCHEMBL12316301 | 0.61 | MAOA (0.55) | PARP1RAB9ASMN1; SMN2NPC1HPGD | |
| SCHEMBL27587725 | 0.61 | ESR1 (0.50) | PARP1MTNR1AMTNR1BAR | |
| SCHEMBL3820208 | 0.60 | PARP1 (0.48) | PARP1MTNR1AMTNR1BCDC7RAB9A |
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 |