Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 8/20 | 0.43 |
| ▸ | PDE4A | P27815 | 7/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | HNF4A | P41235 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | C5AR1 | P21730 | 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 | |
|---|---|---|---|---|
| SCHEMBL6950546 | 0.99 | PDE4A (0.42) | PDE4BPDE4APDE4CPDE4DKDM4E | |
| SCHEMBL6945630 | 0.95 | HAO1 (0.42) | PDE4BPDE4APDE4CPDE4DGABRA1 | |
| SCHEMBL6947904 | 0.88 | HRH1 (0.53) | KDM4EMEN1ALDH1A1KMT2AHRH1 | |
| SCHEMBL6948223 | 0.80 | NPC1 (0.47) | HAO1HNF4A | |
| SCHEMBL6946203 | 0.78 | LMNA (0.46) | KDM4EALDH1A1KMT2AHAO1HNF4A | |
| SCHEMBL6943341 | 0.78 | ERCC5 (0.42) | PDE4BPDE4APDE4CPDE4DHAO1 | |
| SCHEMBL5148099 | 0.77 | IDO1 (0.44) | KDM4EALDH1A1HAO1HNF4A | |
| Dimethylamine SCHEMBL6947623 | 0.77 | LMNA (0.46) | KDM4EALDH1A1KMT2AHAO1HNF4A | |
| SCHEMBL6951239 | 0.77 | HAO1 (0.43) | KDM4EHAO1HNF4A | |
| Dimethylamine SCHEMBL6950061 | 0.76 | IDO1 (0.44) | KDM4EALDH1A1HAO1HNF4A |
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 |