Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | AMPD2 | Q01433 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | ANPEP | P15144 | 3/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3025336 | 0.89 | NOTUM (0.62) | NOTUMHDAC1HDAC6AMPD2SLC6A2 | |
| SCHEMBL16600254 | 0.88 | NOTUM (0.45) | NOTUMHDAC1HDAC6AMPD2SLC6A2 | |
| SCHEMBL31378017 | 0.86 | AMPD2 (0.41) | NOTUMHDAC1HDAC6AMPD2CNR2 | |
| SCHEMBL28743780 | 0.78 | AMPD2 (0.37) | NOTUMHDAC1HDAC6AMPD2PTGDR2 | |
| SCHEMBL31378009 | 0.76 | AMPD2 (0.41) | NOTUMAMPD2SLC6A2SLC6A4AKR1B1 | |
| SCHEMBL7984446 | 0.76 | NOTUM (0.77) | NOTUMSLC6A2SLC6A4CNR2MEN1 | |
| SCHEMBL9917021 | 0.76 | SLC6A2 (0.42) | NOTUMHDAC1HDAC6SLC6A2SLC6A4 | |
| SCHEMBL27636160 | 0.76 | SLC6A2 (0.49) | HDAC1HDAC6SLC6A2SLC6A4CTSS | |
| SCHEMBL2264163 | 0.76 | HDAC1 (0.39) | NOTUMHDAC1HDAC6AMPD2 | |
| SCHEMBL2261573 | 0.76 | NOTUM (0.40) | NOTUMHDAC1HDAC6AMPD2SLC6A2 |
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 |