Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | COPS5 | Q92905 | 6/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27769969 | 0.85 | CYP1A2 (0.53) | CYP1A2ALDH1A1MEN1KMT2AGABRA5 | |
| SCHEMBL999293 | 0.84 | CYP1A2 (0.47) | CYP1A2ALDH1A1MEN1KMT2AGABRA5 | |
| SCHEMBL27734024 | 0.76 | CYP1A2 (0.51) | CYP1A2ALDH1A1MEN1KMT2AGABRA5 | |
| SCHEMBL1417449 | 0.76 | NOS1 (0.43) | CYP1A2ALDH1A1MEN1KMT2AGABRA5 | |
| SCHEMBL11564617 | 0.76 | CYP1A2 (0.46) | CYP1A2ALDH1A1MEN1KMT2AGABRA5 | |
| SCHEMBL15740329 | 0.73 | CYP1A2 (0.56) | CYP1A2ALDH1A1MEN1KMT2AGABRA5 | |
| SCHEMBL28768528 | 0.73 | CYP1A2 (0.48) | CYP1A2ALDH1A1MEN1KMT2AGABRA5 | |
| SCHEMBL5026007 | 0.72 | CYP1A2 (0.54) | CYP1A2ALDH1A1MEN1KMT2AGABRA5 | |
| Bromide SCHEMBL11363387 | 0.70 | CYP1A2 (0.53) | CYP1A2ALDH1A1MEN1KMT2AGABRA5 | |
| SCHEMBL3618179 | 0.69 | ALDH1A1 (0.42) | CYP1A2ALDH1A1HSD17B10COPS5KDM4E |
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-101472902-A | Novel piperazine compounds and their use as HCV polymerase inhibitors | JAPAN TOBACCO INC (JP) | 2009-07-01 | — | — | CN | disclosed |