Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 10/20 | 0.38 |
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | DRD5 | P21918 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6951950 | 1.00 | HAO1 (0.41) | HAO1IGF1RALOX15DRD1DRD2 | |
| SCHEMBL10923648 | 0.75 | ALDH1A1 (0.46) | HAO1IGF1RALOX15KDM4EMAPT | |
| SCHEMBL12365276 | 0.74 | IGF1R (0.60) | HAO1IGF1RALOX15DRD1DRD2 | |
| SCHEMBL10923862 | 0.74 | KMO (0.51) | IGF1RALOX15KDM4ERAB9AALDH1A1 | |
| Bicarbonate SCHEMBL376797 | 0.71 | SIGMAR1 (0.55) | HAO1IGF1RALOX15SIGMAR1CYP3A4 | |
| SCHEMBL2258847 | 0.69 | IGF1R (0.53) | HAO1IGF1RALOX15MAPTMAPK1 | |
| SCHEMBL4484298 | 0.69 | HAO1 (0.58) | HAO1SIGMAR1MAPK1MAPK14 | |
| SCHEMBL17748868 | 0.68 | IGF1R (0.47) | IGF1RALOX15DRD1DRD2HTR2A | |
| SCHEMBL12366952 | 0.68 | IGF1R (0.51) | HAO1IGF1RALOX15DRD2HTR2A | |
| Butanedione SCHEMBL17273471 | 0.67 | SIGMAR1 (0.55) | HAO1IGF1RALOX15HTR2ASIGMAR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | 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 |