Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.52 |
| ▸ | ABHD6 | Q9BV23 | 7/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25236434 | 0.87 | ESR1 (0.43) | ESR1ESR2ABHD6PKMHDAC8 | |
| SCHEMBL19643352 | 0.85 | ESR1 (0.53) | ESR1ESR2ABHD6PKMHDAC8 | |
| SCHEMBL6600846 | 0.84 | ESR1 (0.56) | ESR1ESR2ABHD6PKMHDAC8 | |
| SCHEMBL29150707 | 0.83 | ABHD6 (0.37) | ESR1ESR2ABHD6HDAC8HDAC6 | |
| SCHEMBL30068698 | 0.78 | NR1H2 (0.60) | ESR2ABHD6HDAC6NR1H2 | |
| SCHEMBL25256247 | 0.78 | NR1H2 (0.60) | ESR2ABHD6HDAC6NR1H2 | |
| SCHEMBL587897 | 0.78 | ABHD6 (0.69) | ESR1ESR2ABHD6EP300CREBBP | |
| SCHEMBL7649698 | 0.76 | ESR1 (0.33) | ESR1ESR2ABHD6 | |
| SCHEMBL10067648 | 0.75 | ESR1 (0.58) | ESR1ESR2PKM | |
| SCHEMBL13749172 | 0.75 | ESR1 (0.45) | ESR1ESR2ABHD6PKMHDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| 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-2000007993-A1 | SUBSTITUTED ISOQUINOLEINES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | WO | disclosed |
| WO-1999031068-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1999-06-24 | — | — | WO | disclosed |