Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1D1 | P20393 | 4/20 | 0.61 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.52 |
| ▸ | BCL2 | P10415 | 1/20 | 0.48 |
| ▸ | BAD | Q92934 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | ACE | P12821 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29409306 | 1.00 | NR1D1 (0.61) | NR1D1PTPN1BCL2BADHDAC8 | |
| SCHEMBL4480030 | 1.00 | NR1D1 (0.61) | NR1D1PTPN1BCL2BADHDAC8 | |
| SCHEMBL29409301 | 0.91 | NR1D1 (0.68) | NR1D1BCL2BADACE | |
| SCHEMBL28556786 | 0.91 | NR1D1 (0.68) | NR1D1BCL2BADACE | |
| SCHEMBL29727828 | 0.87 | NPSR1 (0.53) | NR1D1PTPN1HDAC8 | |
| SCHEMBL8233145 | 0.87 | NPSR1 (0.53) | NR1D1PTPN1HDAC8 | |
| SCHEMBL7743528 | 0.87 | HDAC8 (0.54) | NR1D1PTPN1HDAC8ACE | |
| SCHEMBL7743525 | 0.87 | HDAC8 (0.54) | NR1D1PTPN1HDAC8ACE | |
| SCHEMBL7746006 | 0.86 | PTPN1 (0.56) | NR1D1PTPN1HDAC8 | |
| SCHEMBL2078707 | 0.86 | ESR2 (0.51) | NR1D1PTPN1HDAC8MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1149079-B1 | TETRAHYDRO ISOQUINO LINEALKANOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SK CORP (KR) | 2004-04-21 | — | — | EP | disclosed |
| US-5955471-A | USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, INCLUDING DEPRESSION | SK CORPORATION (US) | 1999-09-21 | — | — | US | disclosed |