Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 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 | |
|---|---|---|---|---|
| SCHEMBL28792657 | 0.80 | EGFR (0.42) | EGFRCYP11B1CYP11B2HPGDKDM4E | |
| SCHEMBL16886923 | 0.80 | KDM4E (0.40) | EGFRCYP11B1CYP11B2HPGDMAPT | |
| SCHEMBL24082741 | 0.73 | HCAR2 (0.43) | EGFRHPGDMAPTKDM4EALDH1A1 | |
| SCHEMBL21679094 | 0.72 | CYP11B1 (0.46) | EGFRCYP11B1CYP11B2L3MBTL1MAPT | |
| SCHEMBL3527645 | 0.72 | EGFR (0.44) | EGFRHPGDL3MBTL1KDM4EALDH1A1 | |
| SCHEMBL6932429 | 0.71 | QPCT (0.57) | MAPTALDH1A1LMNATSHR | |
| SCHEMBL18106151 | 0.71 | CYP11B1 (0.42) | CYP11B1CYP11B2TSHRKAT2B | |
| SCHEMBL6929503 | 0.70 | EGFR (0.42) | EGFRCYP11B1CYP11B2HPGDL3MBTL1 | |
| SCHEMBL3521517 | 0.70 | HRH4 (0.43) | EGFRHPGDL3MBTL1MAPTKDM4E | |
| SCHEMBL31168685 | 0.70 | EGFR (0.48) | EGFRCYP11B1CYP11B2HPGDL3MBTL1 |
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 |