Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.40 |
| ▸ | SCD | O00767 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18742441 | 0.96 | HDAC4 (0.41) | HDAC4GRIN1GRIN2ASLC6A4GRIN2D | |
| SCHEMBL4555845 | 0.92 | ADRA1A (0.41) | HDAC4GRIN1GRIN2ASLC6A4GRIN2D | |
| SCHEMBL31459475 | 0.92 | ADRA1A (0.41) | HDAC4GRIN1GRIN2ASLC6A4GRIN2D | |
| SCHEMBL28689514 | 0.84 | SCD (0.40) | HDAC4OPRM1ADRA1AADRA1DADRA1B | |
| SCHEMBL7963694 | 0.84 | ADRA1A (0.38) | HDAC4GRIN1GRIN2ASLC6A4OPRM1 | |
| SCHEMBL2288498 | 0.82 | ADRA1A (0.42) | HDAC4GRIN1GRIN2ASLC6A4GRIN2D | |
| Hydrochloric Acid SCHEMBL30389297 | 0.82 | ADRA1A (0.37) | HDAC4GRIN1GRIN2AOPRM1ADRA1A | |
| Hydrochloric Acid SCHEMBL3177020 | 0.82 | ADRA1A (0.37) | HDAC4GRIN1GRIN2AOPRM1ADRA1A | |
| SCHEMBL10297980 | 0.82 | ADRA1A (0.44) | OPRM1ADRA1AADRA1DADRA1BSCD | |
| SCHEMBL18742698 | 0.81 | BDKRB1 (0.39) | HDAC4SLC6A4OPRM1SCDALDH1A1 |
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-0618900-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1997-03-12 | — | — | EP | disclosed |
| US-5519034-A | ANALGESICS | THE BOOTS COMPANY PLC (GB) | 1996-05-21 | — | — | US | disclosed |
| WO-1993013073-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |