Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PPID | Q08752 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6929629 | 0.88 | L3MBTL1 (0.46) | L3MBTL1ALDH1A1MEN1KMT2APPID | |
| SCHEMBL6784721 | 0.80 | L3MBTL1 (0.49) | L3MBTL1ALDH1A1MEN1KMT2A | |
| SCHEMBL17737107 | 0.79 | L3MBTL1 (0.59) | L3MBTL1ALDH1A1PPIDKDM4ECYP2C9 | |
| SCHEMBL685365 | 0.79 | L3MBTL1 (0.59) | L3MBTL1ALDH1A1PPIDKDM4ECYP2C9 | |
| SCHEMBL11085146 | 0.74 | TLR4 (0.42) | ALDH1A1GAAKMT2ACYP1A2KDM4E | |
| Toluene SCHEMBL28301657 | 0.74 | NPC1 (0.48) | L3MBTL1ALDH1A1MEN1GAAKMT2A | |
| SCHEMBL8023959 | 0.74 | ALDH1A1 (0.42) | ALDH1A1MEN1GAARECQLKMT2A | |
| Hydrochloric Acid SCHEMBL8615141 | 0.73 | ALDH1A1 (0.41) | ALDH1A1MEN1GAARECQLKMT2A | |
| SCHEMBL10932090 | 0.72 | SIGMAR1 (0.49) | L3MBTL1ALDH1A1SIGMAR1MEN1KMT2A | |
| SCHEMBL11777020 | 0.72 | DDB1 (0.45) | SIGMAR1KMT2A |
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 |