Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 6/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL9839302 | 0.92 | CYP2C9 (0.41) | CYP2C9MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL7666214 | 0.90 | HDAC3 (0.43) | CYP2C9MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL7666207 | 0.90 | HDAC3 (0.43) | CYP2C9MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL4799494 | 0.87 | CYP2C9 (0.55) | CYP2C9MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL4650937 | 0.87 | CYP2C9 (0.55) | CYP2C9MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL1813177 | 0.86 | CYP2C9 (0.38) | CYP2C9MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL7568425 | 0.86 | CYP2C9 (0.47) | CYP2C9MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL7568419 | 0.86 | CYP2C9 (0.47) | CYP2C9MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL11197986 | 0.85 | CYP2C9 (0.54) | CYP2C9MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL11191737 | 0.85 | CYP2C9 (0.54) | CYP2C9MEN1KMT2AMAPTMAPK1 |
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-0364538-A1 | DIFLUOROBENZOL DERIVATIVES. | MERCK PATENT GMBH (DE) | 1990-04-25 | — | — | EP | disclosed |
| WO-1989008633-A1 | DIFLUOROBENZOL DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |