Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 2/20 | 0.33 |
| ▸ | MMP9 | P14780 | 2/20 | 0.33 |
| ▸ | MMP13 | P45452 | 2/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP7 | P09237 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.31 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.31 |
| ▸ | ITGAL | P20701 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1546602 | 0.85 | CHRNB2 (0.39) | MMP1MMP9MMP13MMP3MMP7 | |
| SCHEMBL30275098 | 0.85 | CHRNB2 (0.39) | MMP1MMP9MMP13MMP3MMP7 | |
| SCHEMBL1546601 | 0.85 | CHRNB2 (0.39) | MMP1MMP9MMP13MMP3MMP7 | |
| Tert-Butyl Formate SCHEMBL28060403 | 0.84 | ITGB2 (0.37) | TDP1MMP1MMP9MMP13MMP3 | |
| Hydrochloric Acid SCHEMBL29284073 | 0.84 | CHRNB2 (0.38) | MMP1MMP9MMP13MMP3MMP7 | |
| Hydrochloric Acid SCHEMBL17560384 | 0.84 | CHRNB2 (0.38) | MMP1MMP9MMP13MMP3MMP7 | |
| SCHEMBL7393196 | 0.78 | HRH3 (0.33) | MMP1MMP9MMP13MMP3MMP7 | |
| Tert-Butyl Formate SCHEMBL27655188 | 0.78 | FKBP1A (0.45) | TDP1SMN1; SMN2FKBP1A | |
| Tert-Butyl Formate SCHEMBL27675052 | 0.78 | FKBP1A (0.45) | TDP1SMN1; SMN2FKBP1A | |
| Tert-Butyl Formate SCHEMBL27655187 | 0.78 | FKBP1A (0.45) | TDP1SMN1; SMN2FKBP1A |
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-105399698-A | Aromatic heterocyclic derivatives and applications of aromatic heterocyclic derivatives in medicines | GUANGDONG HEC PHARMACEUTICAL | 2016-03-16 | — | — | CN | disclosed |