Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | NQO2 | P16083 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL29595828 | 0.78 | NOTUM (0.43) | NOTUMMAPK1NQO2ALDH1A1MAPT | |
| SCHEMBL15633295 | 0.78 | NOTUM (0.43) | NOTUMMAPK1NQO2ALDH1A1MAPT | |
| SCHEMBL18940387 | 0.73 | MAPK1 (0.42) | MAPK1ALDH1A1KDM4ECA12CA1 | |
| SCHEMBL22445777 | 0.72 | NPSR1 (0.40) | MAPK1ALDH1A1KDM4ECA12CA1 | |
| SCHEMBL19364299 | 0.69 | NOTUM (0.42) | NOTUMMAPK1NQO2ALDH1A1 | |
| SCHEMBL15633243 | 0.69 | NOTUM (0.42) | NOTUMMAPK1NQO2ALDH1A1KDM4E | |
| SCHEMBL27214448 | 0.69 | CA12 (0.43) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL30577614 | 0.69 | PDE7A (0.40) | NQO2ALDH1A1KDM4EMAPTPOLB | |
| SCHEMBL24386910 | 0.68 | NOTUM (0.43) | NOTUMMAPK1NQO2ALDH1A1KDM4E | |
| SCHEMBL13833611 | 0.68 | MAPK1 (0.43) | NOTUMMAPK1ALDH1A1KDM4ECA12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2903977-B1 | 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME (US) | 2017-09-20 | — | — | EP | disclosed |