Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.35 |
| ▸ | CTSV | O60911 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | PYGL | P06737 | 1/20 | 0.34 |
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.33 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5752802 | 0.90 | ADRB3 (0.36) | CTSVCTSLCTSBCTSSPYGL | |
| SCHEMBL5753489 | 0.89 | PTGER4 (0.37) | SMOCTSVCTSLCTSBCTSS | |
| SCHEMBL5755168 | 0.89 | CTSV (0.37) | SMOCTSVCTSLCTSBCTSS | |
| SCHEMBL5752027 | 0.86 | FFAR2 (0.37) | SMOCTSVCTSLCTSBCTSS | |
| SCHEMBL1897805 | 0.85 | BACE1 (0.39) | SMOCTSVCTSLCTSBCTSS | |
| SCHEMBL5753171 | 0.83 | ADRB3 (0.40) | PYGLMMEL1ADRB3ADRB1FFAR2 | |
| SCHEMBL7157741 | 0.83 | ADRB3 (0.40) | PYGLMMEL1ADRB3ADRB1FFAR2 | |
| SCHEMBL5751447 | 0.83 | CTSV (0.36) | SMOCTSVCTSLCTSBCTSS | |
| SCHEMBL5754364 | 0.83 | CNR1 (0.40) | ADRB3ADRB1SLC2A1ADRB2ADRA1D | |
| SCHEMBL5751364 | 0.81 | BACE1 (0.41) | CTSVCTSLCTSBCTSSITGB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6982348-B2 | Aminoethanol derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-01-03 | — | — | US | disclosed |