Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MPI | P34949 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747277 | 0.84 | NPY5R (0.43) | NPY5RSIGMAR1MAOAEHMT2MAOB | |
| SCHEMBL1862319 | 0.83 | KDM4E (0.36) | NPY5RSIGMAR1MAOAEHMT2MAOB | |
| SCHEMBL12629538 | 0.78 | MAPT (0.41) | NPY5RMAOAEHMT2MAOBMEN1 | |
| SCHEMBL8546617 | 0.78 | MAOA (0.41) | MAOAKDM4EALDH1A1MAPT | |
| SCHEMBL989046 | 0.77 | SLC6A2 (0.47) | MAOAEHMT2MAOBMEN1KMT2A | |
| SCHEMBL8747341 | 0.76 | MAPK14 (0.40) | NPY5RSIGMAR1MAOAMAOBALDH1A1 | |
| SCHEMBL7702378 | 0.72 | NPY5R (0.54) | NPY5RSIGMAR1MAOAMEN1NPC1 | |
| SCHEMBL989662 | 0.72 | SLC6A2 (0.49) | CYP19A1CYP11B2KDM4EALDH1A1MAPT | |
| SCHEMBL7416672 | 0.71 | MAOA (0.39) | MAOAEHMT2CYP19A1CYP11B2KDM4E | |
| SCHEMBL988268 | 0.70 | PDK2 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5807868-A | ANALGESICS; PSYCHOLOGICAL DISORDES; PARKINSON*S DIESASE;COGNITION ACTIVATORS; DRUG DEPENDENCE; DYSKINESIA | KNOLL AKTIENGESELLSCHAFT (DE) | 1998-09-15 | — | — | US | disclosed |
| US-5804586-A | ANALGESICS, PSYCHOLOGICAL DISORDERS | KNOLL AKTIENGESELLSCHAFT (DE) | 1998-09-08 | — | — | US | disclosed |
| EP-0707570-B1 | ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1998-05-06 | — | — | EP | disclosed |
| EP-0707570-A1 | ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995000489-A1 | ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1995-01-05 | — | — | WO | disclosed |