Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | CTSG | P08311 | 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 | |
|---|---|---|---|---|
| SCHEMBL22528865 | 0.83 | CA1 (0.39) | CA12CA2CA9TDP1MAPT | |
| SCHEMBL28050674 | 0.79 | CA12 (0.33) | CA12CA2CA9TDP1MAPT | |
| SCHEMBL17700506 | 0.77 | MAPT (0.42) | CA12CA2CA9SIGMAR1MAPT | |
| SCHEMBL28249050 | 0.77 | POLB (0.42) | CA2MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL978044 | 0.76 | SIGMAR1 (0.41) | CA12CA2CA9SIGMAR1TDP1 | |
| SCHEMBL3732806 | 0.72 | MAPT (0.48) | CA12CA2CA9SIGMAR1TDP1 | |
| SCHEMBL95877 | 0.72 | SLC6A2 (0.47) | TDP1ALDH1A1NPSR1HIF1ALMNA | |
| Phenylhydrazine SCHEMBL28029454 | 0.70 | TDP1 (0.54) | CA12CA2CA9TDP1MAPT | |
| Hydrochloric Acid SCHEMBL17710416 | 0.70 | MAPT (0.46) | CA12CA2CA9SIGMAR1TDP1 | |
| SCHEMBL31495384 | 0.69 | ATM (0.42) | CA12SIGMAR1TDP1MAPTALDH1A1 |
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-105622638-A | Pyrimido or pyridopyridone compound and its preparation method and use | GUANGZHOU KANGSHENG BEITE PHARMACEUTICAL CO LTD | 2016-06-01 | — | — | CN | disclosed |