Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.53 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8474404 | 0.82 | PDK1 (0.65) | VCAM1PDK1ALDH1A1HPGDNPSR1 | |
| SCHEMBL351791 | 0.81 | VCAM1 (0.50) | VCAM1PDK1ALDH1A1HPGDNPSR1 | |
| SCHEMBL4122879 | 0.81 | VCAM1 (0.58) | VCAM1PDK1ALDH1A1HPGDNPSR1 | |
| SCHEMBL18148190 | 0.80 | VCAM1 (0.57) | VCAM1PDK1ALDH1A1HPGDNPSR1 | |
| SCHEMBL30635851 | 0.80 | ALDH1A1 (0.62) | VCAM1PDK1ALDH1A1HPGDNPSR1 | |
| SCHEMBL12138038 | 0.80 | ALDH1A1 (0.62) | VCAM1PDK1ALDH1A1HPGDNPSR1 | |
| SCHEMBL21932200 | 0.78 | VCAM1 (0.56) | VCAM1PDK1ALDH1A1HPGDNPSR1 | |
| SCHEMBL2949996 | 0.77 | VCAM1 (0.54) | VCAM1PDK1ALDH1A1HPGDNPSR1 | |
| SCHEMBL5734347 | 0.77 | VCAM1 (0.68) | VCAM1ALDH1A1HPGDNPSR1LMNA | |
| SCHEMBL28548226 | 0.76 | VCAM1 (0.53) | VCAM1PDK1ALDH1A1HPGDNPSR1 |
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-104016927-B | Pyrimidine mercaptoacetamide derivative and preparation method thereof and application | 山东大学 | 2016-06-22 | — | — | CN | disclosed |