Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | KCNN2 | Q9H2S1 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747336 | 0.92 | TP53 (0.51) | MAOAMAPK1 | |
| SCHEMBL8747103 | 0.88 | MAOA (0.42) | MAOASLC6A3NR1I2PTGS2OPRK1 | |
| SCHEMBL8747187 | 0.85 | DRD1 (0.44) | MAOASLC6A3NR1I2MAPK1ALOX15 | |
| SCHEMBL8971800 | 0.82 | MAOA (0.42) | MAOASLC6A3NR1I2PTGS2OPRK1 | |
| SCHEMBL8747032 | 0.81 | DRD1 (0.41) | SLC6A3NR1I2MAPK1ALOX15SLC6A2 | |
| SCHEMBL8747125 | 0.81 | DRD1 (0.55) | MAOAMAPK1 | |
| SCHEMBL8747173 | 0.81 | MAOA (0.47) | MAOALMNAKDM4EALDH1A1HSD17B10 | |
| Bromide SCHEMBL8747356 | 0.81 | DRD1 (0.54) | MAOAMAPK1 | |
| SCHEMBL8747279 | 0.79 | DRD1 (0.55) | MAOAMAPK1 | |
| SCHEMBL9299034 | 0.79 | DRD1 (0.39) | MAOASLC6A3NR1I2PTGS2OPRK1 |
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 |