Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.68 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.68 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | OPRM1 | P35372 | 14/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16186137 | 0.87 | HDAC1 (0.78) | HDAC1HDAC6HTTHSD17B10ALDH1A1 | |
| SCHEMBL14903100 | 0.81 | HDAC1 (0.77) | HDAC1HDAC6HTTHSD17B10OPRM1 | |
| SCHEMBL14894585 | 0.81 | HDAC6 (1.00) | HDAC1HDAC6HTTHSD17B10OPRM1 | |
| SCHEMBL6166305 | 0.77 | OPRM1 (0.76) | HTTHSD17B10ALDH1A1LMNATSHR | |
| SCHEMBL6165525 | 0.75 | HTT (0.61) | HDAC1HDAC6HTTHSD17B10OPRM1 | |
| SCHEMBL14895972 | 0.71 | HDAC1 (0.80) | HDAC1HDAC6HTTHSD17B10ALDH1A1 | |
| SCHEMBL7687645 | 0.71 | POLB (0.41) | HDAC1HDAC6HTTALDH1A1LMNA | |
| SCHEMBL6166168 | 0.70 | OPRM1 (0.55) | HDAC1HDAC6HTTHSD17B10OPRM1 | |
| SCHEMBL6162861 | 0.70 | OPRM1 (0.65) | ALDH1A1OPRM1OPRD1OPRK1 | |
| SCHEMBL6771820 | 0.69 | OPRM1 (0.75) | OPRM1OPRD1OPRK1 |
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-1177185-B1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA ITALIA SPA (IT) | 2005-04-20 | — | — | EP | claimed |
| EP-1177185-B1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA ITALIA SPA (IT) | 2005-04-20 | — | — | EP | disclosed |
| US-6716856-B1 | CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY | PHARMACIA & TUBJOHN SPA (IT) | 2004-04-06 | — | — | US | disclosed |