Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.50 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.47 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11492945 | 0.94 | BCL2L1 (0.49) | HTR3ASLC18A3HDAC1HDAC8HDAC6 | |
| SCHEMBL9938123 | 0.94 | BCL2L1 (0.52) | HTR3ASLC18A3HDAC1HDAC8HDAC6 | |
| Bicarbonate SCHEMBL11118762 | 0.92 | BCL2L1 (0.50) | HTR3ASLC18A3HDAC1HDAC8HDAC6 | |
| SCHEMBL435619 | 0.89 | HTR3A (0.59) | HTR3ASLC18A3ALDH1A1POLBALOX12 | |
| Bicarbonate SCHEMBL6204994 | 0.86 | BCL2L1 (0.56) | HTR3ASLC18A3HDAC1HDAC8HDAC6 | |
| Formic Acid SCHEMBL27621842 | 0.86 | HTR3A (0.48) | HTR3ASLC18A3HDAC1HDAC8HDAC6 | |
| SCHEMBL218475 | 0.84 | HTR3A (0.59) | HTR3ASLC18A3HDAC1HDAC8HDAC6 | |
| SCHEMBL5639210 | 0.83 | HDAC1 (0.45) | HTR3ASLC18A3HDAC1HDAC8HDAC6 | |
| Bicarbonate SCHEMBL1719769 | 0.83 | IDO1 (0.51) | HTR3ASLC18A3BCL2L1MCL1ALDH1A1 | |
| Methyl Alcohol SCHEMBL8471414 | 0.83 | SLC18A3 (0.56) | HTR3ASLC18A3HDAC1HDAC8HDAC6 |
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 4 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 |
| EP-0618900-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS. | BOOTS CO PLC (GB) | 1994-10-12 | — | — | EP | disclosed |
| WO-1993013073-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |