Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 4/20 | 0.43 |
| ▸ | THRA | P10827 | 2/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 3/20 | 0.40 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14195857 | 0.86 | THRB (0.46) | THRBTHRARARBNR5A1TSHR | |
| SCHEMBL10001376 | 0.80 | CHRNB2 (0.60) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL2835258 | 0.80 | CHRNB2 (0.60) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL19971161 | 0.80 | CHRNB2 (0.60) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL2623206 | 0.80 | CHRNB2 (0.60) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL19971166 | 0.80 | CHRNB2 (0.60) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL4906796 | 0.80 | CHRNB2 (0.60) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL19971155 | 0.80 | CHRNB2 (0.60) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL2937499 | 0.80 | CHRNB2 (0.60) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL2993153 | 0.80 | CHRNB2 (0.60) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1575964-B1 | N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-11-11 | — | — | EP | disclosed |