Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 4/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 4/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL9281692 | 0.80 | NOTUM (0.38) | ALDH1A1NOTUMKDRMAPTLMNA | |
| SCHEMBL11406409 | 0.80 | KDR (0.39) | ALDH1A1NOTUMKDRMAPTLMNA | |
| SCHEMBL7514881 | 0.78 | KDR (0.48) | ALDH1A1L3MBTL1KDRMAPTLMNA | |
| SCHEMBL8722602 | 0.78 | NOTUM (0.50) | ALDH1A1TDP1NOTUMLMNAPDK1 | |
| SCHEMBL3533485 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TDP1POLBL3MBTL1MAPT | |
| SCHEMBL3641298 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TDP1POLBL3MBTL1MAPT | |
| SCHEMBL10541562 | 0.77 | CYP1A2 (0.50) | ALDH1A1KDRMAPTLMNAKDM4E | |
| SCHEMBL22989790 | 0.76 | ALDH1A1 (0.47) | ALDH1A1TDP1POLBL3MBTL1MAPT | |
| Bromide SCHEMBL20984575 | 0.76 | ALDH1A1 (0.62) | ALDH1A1TDP1POLBL3MBTL1MAPT | |
| Hydrochloric Acid SCHEMBL20984455 | 0.76 | ALDH1A1 (0.68) | ALDH1A1TDP1POLBL3MBTL1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021027943-A1 | PYRIMIDINOPYRIDAZINONE DERIVATIVE AND MEDICAL USE THEREOF | 正大天晴药业集团南京顺欣制药有限公司 | 2021-02-18 | — | — | WO | disclosed |