Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 1/20 | 0.41 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.41 |
| ▸ | ITGAL | P20701 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CRHBP | P24387 | 2/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| SCHEMBL12609033 | 0.81 | MAP3K14 (0.42) | ITGB2ICAM1ITGALLMNACRHBP | |
| SCHEMBL802264 | 0.81 | MAP3K14 (0.42) | ITGB2ICAM1ITGALLMNACRHBP | |
| SCHEMBL12609018 | 0.81 | MAP3K14 (0.42) | ITGB2ICAM1ITGALLMNACRHBP | |
| SCHEMBL21423461 | 0.79 | ITGB2 (0.39) | ITGB2ICAM1ITGALLMNACRHBP | |
| SCHEMBL29332749 | 0.79 | MAP3K14 (0.40) | ITGB2ICAM1ITGALLMNACRHBP | |
| SCHEMBL6652443 | 0.76 | SSTR4 (0.41) | ITGB2ICAM1ITGALSMN1; SMN2SSTR4 | |
| SCHEMBL8108966 | 0.75 | ITGB2 (0.35) | ITGB2ICAM1ITGALLMNACRHBP | |
| SCHEMBL25183497 | 0.75 | ITGB2 (0.46) | ITGB2ICAM1ITGALLMNACRHBP | |
| SCHEMBL30387987 | 0.75 | ITGB2 (0.46) | ITGB2ICAM1ITGALLMNACRHBP | |
| SCHEMBL131444 | 0.75 | ITGB2 (0.46) | ITGB2ICAM1ITGALLMNACRHBP |
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-109776324-B | Homoallyltrifluoromethyl compound and preparation method thereof | 南京工业大学 | 2021-09-03 | — | — | CN | disclosed |
| CN-109776324-A | Homoallyltrifluoromethyl compound and preparation method thereof | 南京工业大学 | 2019-05-21 | — | — | CN | disclosed |