Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL5228374 | 0.85 | KMT2A (0.49) | ALDH1A1MAPTKMT2APSMD14RXFP1 | |
| SCHEMBL5232416 | 0.84 | HDAC3 (0.45) | ALDH1A1MAPTKMT2APSMD14LMNA | |
| SCHEMBL17318746 | 0.84 | ALDH1A1 (0.47) | ALDH1A1MAPTKMT2APSMD14LMNA | |
| SCHEMBL5226095 | 0.83 | ALDH1A1 (0.46) | ALDH1A1MAPTKMT2APSMD14HPGD | |
| SCHEMBL3127062 | 0.82 | AR (0.50) | ALDH1A1MAPTKMT2ALMNAGSK3B | |
| SCHEMBL5224398 | 0.79 | HDAC3 (0.49) | ALDH1A1MAPTKMT2APSMD14LMNA | |
| SCHEMBL24573798 | 0.77 | ALDH1A1 (0.44) | ALDH1A1MAPTKMT2APSMD14LMNA | |
| SCHEMBL5227048 | 0.77 | HDAC3 (0.50) | ALDH1A1MAPTKMT2ALMNATSHR | |
| SCHEMBL21273299 | 0.77 | MAPT (0.43) | ALDH1A1MAPTKMT2APSMD14LMNA | |
| SCHEMBL1945681 | 0.77 | RXFP1 (0.57) | ALDH1A1MAPTKMT2ATSHRGFER |
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 |