Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.45 |
| ▸ | NCF1 | P14598 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.33 |
| ▸ | PRMT6 | Q96LA8 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | HBB | P68871 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18856825 | 0.78 | KDM4E (0.52) | CYP3A4MAPTKDM4ELOXL2NCF1 | |
| SCHEMBL14370089 | 0.77 | LMNA (0.41) | CYP3A4CYP2C19POLBKCNH3MEN1 | |
| SCHEMBL12581047 | 0.77 | TAAR1 (0.56) | MAPTKDM4EPOLBKCNH3MEN1 | |
| SCHEMBL19287235 | 0.76 | MAPT (0.50) | CYP3A4MAPTKDM4ELOXL2NCF1 | |
| SCHEMBL2504209 | 0.76 | KDM4E (0.68) | CYP3A4MAPTKDM4ELOXL2NCF1 | |
| SCHEMBL13090070 | 0.76 | CA2 (0.36) | CYP3A4KDM4ECYP2C19POLBKCNH3 | |
| SCHEMBL9911481 | 0.76 | SIGMAR1 (0.38) | CYP3A4CYP2C19POLBMEN1KMT2A | |
| SCHEMBL14370053 | 0.74 | CA2 (0.41) | CYP3A4MAPTCYP2C19POLBMEN1 | |
| SCHEMBL1434203 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL30925271 | 0.73 | KDM4E (0.74) | CYP3A4MAPTKDM4ELOXL2NCF1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8198458-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-12 | — | — | US | disclosed |