Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ6 | P48051 | 2/20 | 0.40 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.40 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 9/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GSTO1 | P78417 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14072816 | 0.86 | KCNJ6 (0.39) | KCNJ6KCNJ5KCNJ3KDM4EALDH1A1 | |
| SCHEMBL13512891 | 0.83 | KDM4E (0.46) | KCNJ6KCNJ5KCNJ3SLC6A4KDM4E | |
| SCHEMBL6077312 | 0.82 | ADRA1D (0.43) | HTR2ASLC6A4KCNH2SLC6A2SLC6A3 | |
| SCHEMBL1151395 | 0.81 | KDM4E (0.41) | KCNJ6KCNJ5KCNJ3SLC6A4KDM4E | |
| SCHEMBL1151006 | 0.81 | KDM4E (0.41) | KCNJ6KCNJ5KCNJ3SLC6A4KDM4E | |
| SCHEMBL1150358 | 0.80 | ALDH1A1 (0.41) | KCNJ6KCNJ5KCNJ3SLC6A4KDM4E | |
| SCHEMBL1222227 | 0.80 | MMP1 (0.45) | KCNJ6KCNJ5KCNJ3KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL3843831 | 0.79 | KDM4E (0.40) | KCNJ6KCNJ5KCNJ3SLC6A4KDM4E | |
| SCHEMBL1150730 | 0.79 | KDM4E (0.38) | KCNJ6KCNJ5KCNJ3HTR2ASLC6A4 | |
| SCHEMBL13243780 | 0.78 | KDM4E (0.39) | KCNJ6KCNJ5KCNJ3KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1745052-B1 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007058646-A1 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-24 | — | — | WO | disclosed |