Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25128158 | 0.88 | CYP3A4 (0.69) | CYP3A4ALDH1A1POLBGAAKDM4E | |
| SCHEMBL6351215 | 0.87 | CYP3A4 (0.80) | CYP3A4ALDH1A1POLBGAAKDM4E | |
| SCHEMBL10714891 | 0.85 | CYP3A4 (0.83) | CYP3A4ALDH1A1POLBGAAKDM4E | |
| SCHEMBL43509 | 0.84 | CYP3A4 (1.00) | CYP3A4ALDH1A1POLBGAAKDM4E | |
| SCHEMBL30097830 | 0.84 | CYP3A4 (1.00) | CYP3A4ALDH1A1POLBGAAKDM4E | |
| Ammonia Solution, Strong SCHEMBL9140534 | 0.82 | CYP3A4 (0.95) | CYP3A4ALDH1A1POLBGAAKDM4E | |
| SCHEMBL8765734 | 0.82 | CYP3A4 (0.95) | CYP3A4ALDH1A1POLBGAAKDM4E | |
| SCHEMBL12607303 | 0.81 | CYP3A4 (0.77) | CYP3A4ALDH1A1POLBGAAKDM4E | |
| SCHEMBL11058899 | 0.79 | CYP3A4 (0.87) | CYP3A4ALDH1A1POLBGAAKDM4E | |
| SCHEMBL5271470 | 0.77 | CYP3A4 (0.83) | CYP3A4ALDH1A1POLBGAAKDM4E |
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-5106943-A | Molding materials; blend of trimer of polyisocyanate, epoxy compounds, and aromatic polyamine | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-04-21 | — | — | US | disclosed |