Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.58 |
| ▸ | HTR2A | P28223 | 2/20 | 0.52 |
| ▸ | HTR2C | P28335 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | PTGES | O14684 | 1/20 | 0.48 |
| ▸ | HTR7 | P34969 | 2/20 | 0.48 |
| ▸ | CCR5 | P51681 | 4/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5149238 | 0.89 | SIGMAR1 (0.72) | SIGMAR1HTR2AHTR2CPTGESHTR7 | |
| SCHEMBL28092846 | 0.85 | MEN1 (0.58) | SIGMAR1PTGESCCR5ALDH1A1HPGD | |
| SCHEMBL28029094 | 0.84 | HTR2A (0.48) | SIGMAR1HTR2AHTR2CPOLBHTR7 | |
| SCHEMBL12912380 | 0.79 | KMT2A (0.48) | ALDH1A1ATM | |
| SCHEMBL11184672 | 0.78 | CCR5 (0.56) | PTGESCCR5ALDH1A1 | |
| SCHEMBL2332852 | 0.78 | SIGMAR1 (0.46) | SIGMAR1PTGESCCR5CXCR4 | |
| SCHEMBL7217320 | 0.77 | ALDH1A1 (0.53) | HTR2AHTR2CPOLBHTR7CCR5 | |
| SCHEMBL14468188 | 0.76 | SIGMAR1 (0.74) | SIGMAR1HTR2AHTR2CCXCR4ALDH1A1 | |
| SCHEMBL4922949 | 0.75 | CXCR4 (0.81) | HTR2CCXCR4ALDH1A1HPGD | |
| SCHEMBL4271065 | 0.75 | SIGMAR1 (0.97) | SIGMAR1CXCR4ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106029651-A | Urea derivatives as kinase inhibitors | 瑞斯比维特有限公司 | 2016-10-12 | — | — | CN | claimed |
| CN-106029651-A | Urea derivatives as kinase inhibitors | 瑞斯比维特有限公司 | 2016-10-12 | — | — | CN | disclosed |