Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 5/20 | 0.56 |
| ▸ | DRD2 | P14416 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | DRD5 | P21918 | 2/20 | 0.49 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | DHCR7 | Q9UBM7 | 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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL8747351 | 0.95 | DRD1 (0.52) | DRD1DRD2TP53TSHRMAPK1 | |
| SCHEMBL8747012 | 0.90 | DRD1 (0.50) | DRD1DRD2TP53TSHRMAPK1 | |
| SCHEMBL8747405 | 0.89 | MAOA (0.47) | DRD1DRD2TP53TSHRMAPK1 | |
| SCHEMBL8747029 | 0.88 | DRD1 (0.50) | DRD1DRD2TP53TSHRMAPK1 | |
| Bromide SCHEMBL8747099 | 0.88 | MAOA (0.46) | DRD1DRD2TP53TSHRMAPK1 | |
| SCHEMBL8747074 | 0.87 | DRD1 (0.49) | DRD1DRD2TP53TSHRMAPK1 | |
| SCHEMBL8747142 | 0.87 | DRD1 (0.53) | DRD1DRD2TSHRMAPK1DRD5 | |
| SCHEMBL8747336 | 0.87 | TP53 (0.51) | DRD1DRD2TP53TSHRMAPK1 | |
| SCHEMBL8747027 | 0.87 | MAOA (0.47) | DRD1DRD2TP53TSHRMAPK1 | |
| SCHEMBL8747354 | 0.86 | TRPV1 (0.48) | DRD1DRD2TP53TSHRMAPK1 |
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 |