Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | ACP3 | P15309 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | DDX3X | O00571 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL20681151 | 0.86 | TSHR (0.52) | TSHRLMNAACP3ALDH1A1ACHE | |
| SCHEMBL2014611 | 0.83 | TSHR (0.61) | TSHRLMNAACP3ALDH1A1ACHE | |
| SCHEMBL27388374 | 0.80 | TSHR (0.57) | TSHRLMNAACP3ALDH1A1ACHE | |
| SCHEMBL28301358 | 0.80 | TSHR (0.57) | TSHRLMNAACP3ALDH1A1ACHE | |
| SCHEMBL5717159 | 0.80 | TSHR (0.57) | TSHRLMNAACP3ALDH1A1ACHE | |
| SCHEMBL28248026 | 0.80 | TSHR (0.57) | TSHRLMNAACP3ALDH1A1ACHE | |
| SCHEMBL4093002 | 0.79 | TSHR (0.67) | TSHRLMNAACP3ALDH1A1ACHE | |
| SCHEMBL27382846 | 0.77 | TSHR (0.53) | TSHRLMNAACP3ALDH1A1ACHE | |
| SCHEMBL2333356 | 0.76 | TSHR (0.57) | TSHRLMNAACP3ALDH1A1ACHE | |
| SCHEMBL1578786 | 0.76 | ACP3 (0.55) | TSHRLMNAACP3ALDH1A1ALOX15 |
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-111566100-A | Pyrimidine compound, preparation method and medical application thereof | 恩瑞生物医药科技（上海）有限公司 | 2020-08-21 | — | — | CN | disclosed |