Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MPI | P34949 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12629538 | 0.89 | MAPT (0.41) | NPY5REHMT2MAOBMAOAKDM4E | |
| SCHEMBL989046 | 0.88 | SLC6A2 (0.47) | EHMT2MAOBMAOAKDM4EALDH1A1 | |
| SCHEMBL7475657 | 0.84 | NPY5R (0.43) | NPY5RSIGMAR1EHMT2MAOBMAOA | |
| SCHEMBL989662 | 0.83 | SLC6A2 (0.49) | KDM4EALDH1A1MAPTMPIDRD2 | |
| SCHEMBL1862319 | 0.80 | KDM4E (0.36) | NPY5RSIGMAR1EHMT2MAOBMAOA | |
| SCHEMBL8747341 | 0.80 | MAPK14 (0.40) | NPY5RSIGMAR1MAOBMAOAALDH1A1 | |
| Hydrochloric Acid SCHEMBL989926 | 0.75 | SLC6A9 (0.46) | KDM4EALDH1A1 | |
| SCHEMBL7416672 | 0.75 | MAOA (0.39) | EHMT2MAOAKDM4EALDH1A1MAPT | |
| SCHEMBL988843 | 0.74 | SLC6A2 (0.43) | ALDH1A1DRD2DRD1DRD4CYP19A1 | |
| SCHEMBL989680 | 0.73 | MAOA (0.42) | MAOBMAOAKDM4EMAPT |
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 |