Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.62 |
| ▸ | CA9 | Q16790 | 3/20 | 0.62 |
| ▸ | CA1 | P00915 | 2/20 | 0.62 |
| ▸ | CA2 | P00918 | 2/20 | 0.62 |
| ▸ | MAOB | P27338 | 7/20 | 0.51 |
| ▸ | MAOA | P21397 | 2/20 | 0.51 |
| ▸ | F12 | P00748 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL28022503 | 0.88 | CA12 (0.62) | CA12CA9CA1CA2MAOB | |
| Anisole SCHEMBL28022513 | 0.86 | XDH (0.60) | CA12CA9CA1CA2MAOB | |
| Bromobenzene SCHEMBL28022511 | 0.81 | CA12 (0.59) | CA12CA9CA1CA2MAOB | |
| SCHEMBL20435637 | 0.81 | CA12 (0.68) | CA12CA9CA1CA2MAOB | |
| SCHEMBL831487 | 0.80 | CA12 (0.79) | CA12CA9CA1CA2MAOB | |
| SCHEMBL831190 | 0.78 | CA12 (0.64) | CA12CA9CA1CA2MAOB | |
| SCHEMBL8809101 | 0.77 | CA12 (0.75) | CA12CA9CA1CA2MAOB | |
| SCHEMBL8810276 | 0.77 | CA12 (1.00) | CA12CA9CA1CA2MAOB | |
| SCHEMBL21032933 | 0.75 | PKM (0.67) | CA12CA9CA1CA2MAOB | |
| SCHEMBL4385793 | 0.74 | CA12 (0.65) | CA12CA9CA1CA2MAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-104892560-A | Substances having protein tyrosine kinase inhibitory activity, and preparation method and use thereof | INST RADIATION MED AMMS PLA | 2015-09-09 | — | — | CN | claimed |
| CN-104892560-A | Substances having protein tyrosine kinase inhibitory activity, and preparation method and use thereof | INST RADIATION MED AMMS PLA | 2015-09-09 | — | — | CN | disclosed |