Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PRNP | P04156 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4159536 | 0.85 | MAOB (0.45) | MAOBHCAR2TAAR1GPR52MAPK1 | |
| SCHEMBL13181457 | 0.84 | LMNA (0.42) | MEN1KMT2ANPSR1ALDH1A1LMNA | |
| SCHEMBL14259040 | 0.84 | ABL1 (0.46) | MAOBMEN1KMT2ANPSR1ALDH1A1 | |
| SCHEMBL754372 | 0.81 | ALDH1A1 (0.45) | MAOBMEN1KMT2ANPSR1ALDH1A1 | |
| SCHEMBL7077550 | 0.81 | LMNA (0.51) | MEN1KMT2ANPSR1ALDH1A1LMNA | |
| SCHEMBL13155285 | 0.80 | MEN1 (0.44) | MAOBMEN1KMT2ANPSR1ALDH1A1 | |
| SCHEMBL7828973 | 0.80 | ERCC5 (0.50) | LMNAHCAR2MAPK1RAB9A | |
| SCHEMBL4670644 | 0.79 | HCAR2 (0.39) | LMNAHCAR2GPR52MAPK1RAB9A | |
| SCHEMBL4670641 | 0.79 | HCAR2 (0.39) | LMNAHCAR2GPR52MAPK1RAB9A | |
| SCHEMBL7829382 | 0.77 | PDE3B (0.42) | MEN1KMT2AALDH1A1LMNAMAPK1 |
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-1086091-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2001-10-10 | — | — | EP | disclosed |
| US-6262055-B1 | SULFUR-CONTAINING HETEROARYL DIOXO-BUTYRIC ACID DERIVATIVES | MERCK & CO., INC. | 2001-07-17 | — | — | US | disclosed |
| EP-1086091-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999062897-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |