Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 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 | |
|---|---|---|---|---|
| SCHEMBL9623554 | 0.82 | TSHR (0.40) | EGFRTSHRCYP11B1CYP11B2KDM4E | |
| SCHEMBL6929503 | 0.72 | EGFR (0.42) | EGFRTSHRCYP11B1CYP11B2L3MBTL1 | |
| SCHEMBL8891350 | 0.72 | GABRR1 (0.53) | EGFRKDM4EALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL22307574 | 0.71 | TSHR (0.41) | EGFRTSHRCYP11B1CYP11B2L3MBTL1 | |
| SCHEMBL6929905 | 0.69 | EGFR (0.45) | EGFRTSHRCYP11B1CYP11B2L3MBTL1 | |
| SCHEMBL21679094 | 0.68 | CYP11B1 (0.46) | EGFRTSHRCYP11B1CYP11B2L3MBTL1 | |
| SCHEMBL14606466 | 0.68 | GABRR1 (0.43) | EGFRKDM4EMAPTALDH1A1HSD17B10 | |
| SCHEMBL3588654 | 0.68 | KDM4E (0.43) | TSHRKDM4EMAPTALDH1A1HSD17B10 | |
| SCHEMBL3033479 | 0.67 | KDM4E (0.40) | KDM4EMAPTALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL1039137 | 0.67 | TSHR (0.40) | EGFRTSHRCYP11B1CYP11B2KDM4E |
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 |