Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | MMP1 | P03956 | 3/20 | 0.39 |
| ▸ | MMP3 | P08254 | 3/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP7 | P09237 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7457261 | 0.81 | SIGMAR1 (0.42) | SIGMAR1KMT2AADRA2BADRA2CSLC6A2 | |
| SCHEMBL8378631 | 0.81 | TSHR (0.40) | SIGMAR1KMT2AMEN1MMP1MMP3 | |
| SCHEMBL8378633 | 0.81 | TSHR (0.40) | SIGMAR1KMT2AMEN1MMP1MMP3 | |
| SCHEMBL9709386 | 0.81 | TRPA1 (0.39) | SIGMAR1KMT2AMEN1MMP1MMP3 | |
| SCHEMBL7460105 | 0.75 | TRPA1 (0.45) | SIGMAR1KMT2AMEN1ADRA2BADRA2C | |
| SCHEMBL13995693 | 0.74 | ADRA2B (0.50) | SIGMAR1KMT2AMEN1MMP1MMP3 | |
| SCHEMBL13995692 | 0.74 | ADRA2B (0.50) | SIGMAR1KMT2AMEN1MMP1MMP3 | |
| SCHEMBL9074719 | 0.74 | SIGMAR1 (0.44) | SIGMAR1KMT2AMEN1ADRA2BADRA2C | |
| SCHEMBL9074717 | 0.74 | SIGMAR1 (0.44) | SIGMAR1KMT2AMEN1ADRA2BADRA2C | |
| SCHEMBL5903259 | 0.74 | SLC6A2 (0.42) | SIGMAR1ADRA2BADRA2CSLC6A2HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6423871-B1 | REACTING AN ELECTROPHILIC COMPOUND WITH PRIMARY AMINE IN ANHYDROUS SOLVENT | UNIVERSITY OF SOUTH FLORIDA | 2002-07-23 | — | — | US | disclosed |
| WO-2000050377-A1 | EFFICIENT SYNTHESIS OF SECONDARY AMINES BY SELECTIVE ALKYLATION OF PRIMARY AMINES | UNIVERSITY OF SOUTH FLORIDA (US) | 2000-08-31 | — | — | WO | disclosed |