Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 7/20 | 0.78 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | DRD4 | P21917 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | AKT1 | P31749 | 2/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.47 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.47 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.44 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL30730960 | 0.88 | NOTUM (1.00) | NOTUMDRD2DRD4ALDH1A1HDAC1 | |
| SCHEMBL3895361 | 0.88 | NOTUM (1.00) | NOTUMDRD2DRD4ALDH1A1HDAC1 | |
| SCHEMBL5568816 | 0.86 | NOTUM (0.76) | NOTUMDRD2DRD4ALDH1A1HDAC1 | |
| SCHEMBL20905152 | 0.85 | NOTUM (0.70) | NOTUMDRD2DRD4ALDH1A1HDAC1 | |
| SCHEMBL27436752 | 0.84 | NOTUM (0.72) | NOTUMDRD2DRD4ALDH1A1HDAC1 | |
| SCHEMBL27436765 | 0.82 | NOTUM (0.70) | NOTUMDRD2DRD4ALDH1A1HDAC1 | |
| SCHEMBL3900750 | 0.80 | NOTUM (0.51) | NOTUMDRD2DRD4ALDH1A1PDCD1 | |
| SCHEMBL15544332 | 0.77 | CNR2 (0.72) | NOTUMDRD2DRD4 | |
| SCHEMBL14842647 | 0.77 | MEN1 (0.62) | NOTUMDRD2DRD4ALDH1A1HDAC1 | |
| SCHEMBL1743665 | 0.77 | NOTUM (0.50) | NOTUMALDH1A1AKT1PIK3CDCYP3A4 |
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 6 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-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-1999025709-A1 | ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE | SMITHKLINE BEECHAM P.L.C. (GB) | 1999-05-27 | — | — | WO | disclosed |