Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 7/20 | 0.47 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.44 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | GPR183 | P32249 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2178804 | 0.85 | ABHD6 (0.49) | NR1H2NAMPTTMEM97SIGMAR1KMT2A | |
| SCHEMBL29407557 | 0.85 | NR1H2 (0.69) | NR1H2NAMPTTMEM97SIGMAR1NPC1 | |
| SCHEMBL1285596 | 0.85 | NR1H2 (0.69) | NR1H2NAMPTTMEM97SIGMAR1NPC1 | |
| SCHEMBL7853835 | 0.85 | NPSR1 (0.48) | NR1H2TMEM97SIGMAR1KDM4ENPC1 | |
| SCHEMBL7854384 | 0.84 | NR1H2 (0.48) | NR1H2TMEM97SIGMAR1KDM4ENPC1 | |
| SCHEMBL13267040 | 0.83 | NPC1 (0.51) | NR1H2TMEM97SIGMAR1KDM4ENPC1 | |
| SCHEMBL30828042 | 0.83 | NR1H2 (0.44) | NR1H2TMEM97SIGMAR1KDM4ENPC1 | |
| SCHEMBL27914873 | 0.82 | NAMPT (0.49) | NR1H2NAMPTTMEM97SIGMAR1NPC1 | |
| SCHEMBL168265 | 0.80 | ESR2 (0.70) | NR1H2NAMPTTMEM97SIGMAR1NPC1 | |
| SCHEMBL2177564 | 0.80 | ABHD6 (0.50) | NR1H2NAMPTTMEM97SIGMAR1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0922035-B1 | TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE | SMITHKLINE BEECHAM PLC (GB) | 2001-02-07 | — | — | EP | disclosed |
| US-6143762-A | DRUGS AS DOPAMINE ANTAGONIST PSYCHOLOGICAL DISORDERS | SMITHKLINE BEECHAM, PLC (GB) | 2000-11-07 | — | — | US | disclosed |
| EP-0922035-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE | SMITHKLINE BEECHAM PLC (GB) | 1999-06-16 | — | — | EP | disclosed |
| WO-1998006699-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE | SMITHKLINE BEECHAM PLC (GB) | 1998-02-19 | — | — | WO | disclosed |