Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.77 |
| ▸ | CNR2 | P34972 | 1/20 | 0.61 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.51 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.50 |
| ▸ | HTR3B | O95264 | 1/20 | 0.50 |
| ▸ | HTR3A | P46098 | 1/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.50 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL447187 | 0.87 | NOTUM (1.00) | NOTUMCNR2BIRC2HTR3EHTR3B | |
| SCHEMBL26691209 | 0.86 | NOTUM (0.73) | NOTUMCNR2BIRC2HTR3EHTR3B | |
| SCHEMBL26932396 | 0.86 | NOTUM (0.73) | NOTUMCNR2BIRC2HTR3EHTR3B | |
| SCHEMBL27527695 | 0.84 | NOTUM (0.57) | NOTUMCNR2BIRC2HTR3EHTR3B | |
| SCHEMBL27565401 | 0.83 | NOTUM (0.69) | NOTUMCNR2BIRC2HTR3EHTR3B | |
| SCHEMBL31378004 | 0.82 | NOTUM (0.54) | NOTUMCNR2BIRC2HTR3EHTR3B | |
| SCHEMBL28008763 | 0.79 | NOTUM (0.63) | NOTUMCNR2BIRC2HTR3EHTR3B | |
| SCHEMBL16684905 | 0.79 | NOTUM (0.58) | NOTUMCNR2BIRC2HTR3EHTR3B | |
| SCHEMBL16685102 | 0.79 | NOTUM (0.58) | NOTUMCNR2BIRC2HTR3EHTR3B | |
| SCHEMBL30694937 | 0.77 | NOTUM (0.49) | NOTUMCNR2BIRC2ROCK1MEN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6274594-B1 | ANTICONVULSANTS, ANALGESICS; NERUOPATHIC, CANCER AND DENTAL PAIN; | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-08-14 | — | — | US | claimed |
| EP-1032570-A1 | ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE | SMITHKLINE BEECHAM PLC (GB) | 2000-09-06 | — | — | EP | claimed |
| WO-2000008022-A1 | UREA DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | WO | claimed |
| WO-1999025709-A1 | ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE | SMITHKLINE BEECHAM P.L.C. (GB) | 1999-05-27 | — | — | WO | claimed |
| US-6274594-B1 | ANTICONVULSANTS, ANALGESICS; NERUOPATHIC, CANCER AND DENTAL PAIN; | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-08-14 | — | — | US | disclosed |
| EP-1032570-A1 | ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE | SMITHKLINE BEECHAM PLC (GB) | 2000-09-06 | — | — | EP | disclosed |
| WO-2000008022-A1 | UREA DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | WO | disclosed |
| WO-1999025709-A1 | ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE | SMITHKLINE BEECHAM P.L.C. (GB) | 1999-05-27 | — | — | WO | disclosed |