Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 13/20 | 0.53 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.49 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28089580 | 0.84 | TSHR (0.40) | VCAM1 | |
| SCHEMBL28089586 | 0.84 | TSHR (0.40) | VCAM1 | |
| SCHEMBL28089587 | 0.83 | FKBP1A (0.56) | ALDH1A1 | |
| SCHEMBL14905819 | 0.77 | VCAM1 (0.59) | VCAM1NPBWR1MCHR1 | |
| SCHEMBL14894963 | 0.74 | VCAM1 (0.62) | VCAM1NPBWR1MCHR1KDM4EALDH1A1 | |
| SCHEMBL14894962 | 0.74 | VCAM1 (0.62) | VCAM1NPBWR1MCHR1KDM4EALDH1A1 | |
| SCHEMBL16169930 | 0.71 | VCAM1 (0.65) | VCAM1NPBWR1MCHR1ALDH1A1 | |
| SCHEMBL7449300 | 0.70 | VCAM1 (0.56) | VCAM1NPBWR1MCHR1ALDH1A1 | |
| SCHEMBL9488387 | 0.70 | VCAM1 (0.63) | VCAM1NPBWR1MCHR1ALDH1A1 | |
| SCHEMBL11589870 | 0.70 | VCAM1 (0.67) | VCAM1NPBWR1MCHR1ALDH1A1 |
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-103958505-B | For treating dibasic 3,4-diaminourea-3-cyclobutane-1,2-dione compounds of chemokine mediated pathology | 高德美研究及发展公司 | 2016-08-24 | — | — | CN | disclosed |