Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 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 | |
|---|---|---|---|---|
| SCHEMBL377140 | 0.71 | GAA (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL377139 | 0.71 | GAA (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL14127791 | 0.68 | DPP4 (0.43) | CYP3A4CYP2D6CYP2C19CYP1A2GRIN2B | |
| SCHEMBL27756416 | 0.68 | TAAR1 (0.63) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL25638545 | 0.68 | TAAR1 (0.55) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL630978 | 0.68 | TAAR1 (0.63) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6097414 | 0.68 | AKR1C3 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6093822 | 0.67 | KMT2A (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6095523 | 0.67 | KMT2A (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL13356551 | 0.66 | HTT (0.57) | GRIN2BGRIN1LMNAGAAHTT |
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 8 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 | claimed |
| EP-1242074-A1 | 5-BENZYL-OCTAHYDROINDOLE AND 6-BENZYL-DECAHYDROQUINOLINE NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2002-09-25 | — | — | EP | claimed |
| US-6369076-B1 | ANALGESICS | MERCK & CO. INC. | 2002-04-09 | — | — | US | claimed |
| WO-2001032171-A1 | 5-BENZYL-OCTAHYDROINDOLE AND 6-BENZYL-DECAHYDROQUINOLINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2001-05-10 | — | — | WO | claimed |
| 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 |