Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREBBP | Q92793 | 5/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6601808 | 0.90 | CREBBP (0.47) | CREBBPHDAC8HDAC1HDAC6NPC1 | |
| SCHEMBL6604412 | 0.90 | NPC1 (0.52) | HDAC8HDAC1HDAC6NPC1RAB9A | |
| SCHEMBL5874058 | 0.88 | HDAC8 (0.48) | CREBBPHDAC8HDAC1HDAC6NPC1 | |
| SCHEMBL6601449 | 0.88 | TOP2A (0.42) | HDAC8HDAC1HDAC6ROCK2PRKG1 | |
| SCHEMBL6602268 | 0.88 | MAPT (0.49) | HDAC8HDAC1HDAC6NPC1RAB9A | |
| SCHEMBL8120517 | 0.83 | NPC1 (0.46) | NPC1RAB9AMITFSMN1; SMN2MEN1 | |
| SCHEMBL5874128 | 0.82 | MEN1 (0.48) | CREBBPHDAC8HDAC1HDAC6NPC1 | |
| SCHEMBL6602962 | 0.79 | MAPT (0.55) | HDAC8HDAC1HDAC6NPC1RAB9A | |
| SCHEMBL6604270 | 0.79 | KCNQ3 (0.47) | HDAC8HDAC1HDAC6NPC1RAB9A | |
| SCHEMBL5874089 | 0.79 | MAPT (0.46) | CREBBPHDAC8HDAC1HDAC6NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1042296-B1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2004-02-25 | — | — | EP | claimed |
| US-6248754-B1 | PSYCHOLOGICAL DISORDERS | SMITHKLINE BEECHAM, P.L.C. (GB) | 2001-06-19 | — | — | US | claimed |
| EP-1042296-B1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2004-02-25 | — | — | EP | disclosed |
| US-6248754-B1 | PSYCHOLOGICAL DISORDERS | SMITHKLINE BEECHAM, P.L.C. (GB) | 2001-06-19 | — | — | US | disclosed |
| EP-1042296-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999031068-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1999-06-24 | — | — | WO | disclosed |