Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6930989 | 0.72 | EGFR (0.39) | EGFRKDM4EALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL6929905 | 0.70 | EGFR (0.45) | EGFRKDM4EALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL31180118 | 0.66 | KDM4E (0.42) | EGFRKDM4EALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL22307574 | 0.66 | TSHR (0.41) | EGFRKDM4EALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL5307615 | 0.63 | MAPT (0.54) | EGFRKDM4EALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL17129771 | 0.62 | TSHR (0.41) | EGFRKDM4EALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL21679094 | 0.62 | CYP11B1 (0.46) | EGFRKDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL3929708 | 0.62 | KDM4E (0.42) | EGFRKDM4EALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL23164498 | 0.61 | KDM4E (0.41) | EGFRKDM4EALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL7457649 | 0.61 | HTT (0.48) | KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD |
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 |