Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 6/20 | 0.43 |
| ▸ | NOS3 | P29474 | 5/20 | 0.43 |
| ▸ | NOS1 | P29475 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 6/20 | 0.38 |
| ▸ | HTR2C | P28335 | 6/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8854868 | 0.79 | KDM4E (0.44) | NOS2NOS3NOS1KDM4EALDH1A1 | |
| SCHEMBL772660 | 0.77 | KDM4E (0.42) | NOS2NOS3NOS1KDM4EALDH1A1 | |
| SCHEMBL21872465 | 0.77 | KDM4E (0.42) | NOS2NOS3NOS1KDM4EALDH1A1 | |
| SCHEMBL12049731 | 0.77 | NOS2 (0.47) | NOS2NOS3NOS1KDM4EALDH1A1 | |
| SCHEMBL23060213 | 0.77 | KDM4E (0.47) | NOS2NOS3NOS1KDM4EALDH1A1 | |
| SCHEMBL13162838 | 0.76 | KDM4E (0.41) | NOS2NOS3NOS1KDM4EALDH1A1 | |
| SCHEMBL10202213 | 0.76 | NCF1 (0.46) | NOS2NOS3NOS1KDM4EALDH1A1 | |
| SCHEMBL14980283 | 0.76 | KDM4E (0.41) | NOS2NOS3NOS1KDM4EALDH1A1 | |
| SCHEMBL13046392 | 0.76 | KDM4E (0.41) | NOS2NOS3NOS1KDM4EALDH1A1 | |
| SCHEMBL17285939 | 0.75 | NOS2 (0.46) | NOS2NOS3NOS1KDM4EALDH1A1 |
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-3808743-A1 | HIV REPLICATION INHIBITING PYRIMIDINES | Janssen Pharmaceutica NV (BE) | 2021-04-21 | — | — | EP | disclosed |
| EP-2298761-B1 | HIV INHIBITING PYRIMIDINES DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2020-03-25 | — | — | EP | disclosed |