Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.37 |
| ▸ | CA2 | P00918 | 7/20 | 0.37 |
| ▸ | CA9 | Q16790 | 7/20 | 0.37 |
| ▸ | CA7 | P43166 | 6/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28065012 | 0.86 | MEN1 (0.38) | CA1CA2CA9CA7CA14 | |
| SCHEMBL16400474 | 0.85 | CA2 (0.45) | CA1CA2CA9CA7CA14 | |
| Tert-Butyl Formate SCHEMBL28024916 | 0.85 | SLC6A3 (0.39) | CHRNA7MEN1CYP2D6CYP2C19KMT2A | |
| SCHEMBL21962249 | 0.81 | CHRNA7 (0.44) | CA1CA2CA9CA7CA14 | |
| Tert-Butyl Formate SCHEMBL28064954 | 0.80 | MEN1 (0.37) | CHRNA7MEN1CYP2D6CYP2C19KMT2A | |
| Tert-Butyl Formate SCHEMBL27801907 | 0.79 | MEN1 (0.36) | CHRNA7MEN1CYP2D6CYP2C19KMT2A | |
| Tert-Butyl Formate SCHEMBL27957986 | 0.78 | MKNK1 (0.39) | CHRNA7MEN1CYP2D6CYP2C19KMT2A | |
| Tert-Butyl Formate SCHEMBL27843164 | 0.75 | MKNK1 (0.37) | CHRNA7MEN1CYP2D6CYP2C19KMT2A | |
| Tert-Butyl Formate SCHEMBL28105249 | 0.75 | MKNK1 (0.37) | CHRNA7MEN1CYP2D6CYP2C19KMT2A | |
| SCHEMBL16401187 | 0.74 | KMT2A (0.45) | CHRNA7MEN1CYP2D6CYP2C19KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105579444-A | Piperidinylindole derivatives and their use as complement factor B inhibitors | NOVARTIS AG | 2016-05-11 | — | — | CN | disclosed |