Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | KCNN2 | Q9H2S1 | 4/20 | 0.44 |
| ▸ | KCNN3 | Q9UGI6 | 4/20 | 0.44 |
| ▸ | KCNN1 | Q92952 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | DRD5 | P21918 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9299034 | 0.92 | DRD1 (0.39) | MAOADRD1DRD5CHRNA7 | |
| SCHEMBL8747152 | 0.92 | DRD1 (0.55) | MAOADRD1DRD5 | |
| SCHEMBL8747218 | 0.91 | CHRNA7 (0.50) | CHRNA7 | |
| SCHEMBL8747172 | 0.84 | DRD2 (0.54) | MAOALMNACYP2D6KDM4EMAPK1 | |
| SCHEMBL8746994 | 0.84 | MAOA (0.44) | MAOAKCNN2KCNN3KCNN1LMNA | |
| Bromide SCHEMBL8747156 | 0.83 | DRD2 (0.53) | MAOALMNACYP2D6KDM4EMAPK1 | |
| Iodide SCHEMBL27348744 | 0.83 | MAOA (0.44) | MAOAKCNN2KCNN3KCNN1LMNA | |
| Hydrochloric Acid SCHEMBL8747291 | 0.83 | MAOA (0.53) | MAOAKCNN2KCNN3KCNN1LMNA | |
| SCHEMBL8747036 | 0.82 | DRD1 (0.48) | MAOAMAPK1DRD1DRD5 | |
| SCHEMBL8747090 | 0.81 | DRD1 (0.49) | MAOAMAPK1DRD1DRD5 |
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 |