Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 9/20 | 0.66 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.57 |
| ▸ | HPD | P32754 | 1/20 | 0.55 |
| ▸ | NR4A2 | P43354 | 4/20 | 0.53 |
| ▸ | MAOA | P21397 | 3/20 | 0.53 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.52 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6946117 | 1.00 | MAOB (0.66) | MAOBNR1H4HPDNR4A2MAOA | |
| SCHEMBL6950489 | 0.90 | NR4A2 (0.67) | MAOBNR1H4NR4A2MAOAPTPN1 | |
| SCHEMBL6950492 | 0.90 | NR4A2 (0.67) | MAOBNR1H4NR4A2MAOAPTPN1 | |
| SCHEMBL6940932 | 0.88 | NR4A2 (0.70) | MAOBHPDNR4A2MAOANR4A1 | |
| SCHEMBL6940936 | 0.88 | NR4A2 (0.70) | MAOBHPDNR4A2MAOANR4A1 | |
| SCHEMBL6951859 | 0.88 | NR4A2 (0.70) | MAOBHPDNR4A2MAOANR4A1 | |
| SCHEMBL6951854 | 0.88 | NR4A2 (0.70) | MAOBHPDNR4A2MAOANR4A1 | |
| SCHEMBL6205727 | 0.84 | MRGPRX4 (0.63) | MAOBNR4A2MAOAPTPN1SMPD1 | |
| SCHEMBL6205725 | 0.84 | MRGPRX4 (0.63) | MAOBNR4A2MAOAPTPN1SMPD1 | |
| SCHEMBL6205720 | 0.84 | MRGPRX4 (0.63) | MAOBNR4A2MAOAPTPN1SMPD1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | claimed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | claimed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | claimed |
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |