Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6931066 | 1.00 | TMEM97 (0.49) | TMEM97SIGMAR1ESR1ESR2MAOB | |
| SCHEMBL7402131 | 0.77 | TMEM97 (0.82) | TMEM97SIGMAR1MAOBLTA4HGRIN2A | |
| SCHEMBL7068153 | 0.76 | CCR3 (0.50) | SIGMAR1KDM4E | |
| SCHEMBL7071904 | 0.76 | CCR3 (0.50) | SIGMAR1KDM4E | |
| SCHEMBL7069134 | 0.76 | CCR3 (0.50) | SIGMAR1KDM4E | |
| SCHEMBL7068156 | 0.76 | CCR3 (0.50) | SIGMAR1KDM4E | |
| Hydrochloric Acid SCHEMBL7402650 | 0.76 | TMEM97 (0.80) | TMEM97SIGMAR1MAOBLTA4HGRIN2A | |
| SCHEMBL6944676 | 0.75 | TMEM97 (0.52) | TMEM97SIGMAR1ESR1ESR2MAOB | |
| SCHEMBL7246214 | 0.74 | ESR1 (0.54) | TMEM97SIGMAR1ESR1ESR2LTA4H | |
| Hydrochloric Acid SCHEMBL7244122 | 0.73 | ESR1 (0.55) | TMEM97SIGMAR1ESR1LTA4H |
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-1242074-A4 | 5-BENZYL-OCTAHYDROINDOLE AND 6-BENZYL-DECAHYDROQUINOLINE NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2003-01-29 | — | — | EP | disclosed |
| EP-1242074-A1 | 5-BENZYL-OCTAHYDROINDOLE AND 6-BENZYL-DECAHYDROQUINOLINE NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2002-09-25 | — | — | EP | disclosed |
| US-6369076-B1 | ANALGESICS | MERCK & CO. INC. | 2002-04-09 | — | — | US | disclosed |
| WO-2001032171-A1 | 5-BENZYL-OCTAHYDROINDOLE AND 6-BENZYL-DECAHYDROQUINOLINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2001-05-10 | — | — | WO | disclosed |