Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | BTK | Q06187 | 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 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL4020718 | 0.76 | CTSD (0.39) | SMN1; SMN2ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL20351887 | 0.76 | CHRNB2 (0.43) | SMN1; SMN2ALDH1A1BTKCHRNB2CHRNB4 | |
| SCHEMBL20043197 | 0.76 | CHRNB2 (0.43) | SMN1; SMN2ALDH1A1BTKCHRNB2CHRNB4 | |
| SCHEMBL20047644 | 0.76 | CHRNB2 (0.43) | SMN1; SMN2ALDH1A1BTKCHRNB2CHRNB4 | |
| SCHEMBL3942643 | 0.76 | SMN1; SMN2 (0.39) | SMN1; SMN2ALDH1A1BTKCHRNB2CHRNB4 | |
| SCHEMBL4030544 | 0.76 | SMN1; SMN2 (0.39) | SMN1; SMN2ALDH1A1BTKCHRNB2CHRNB4 | |
| SCHEMBL20047572 | 0.74 | ALDH1A1 (0.38) | SMN1; SMN2ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL4026636 | 0.73 | — | — | |
| SCHEMBL15443019 | 0.71 | SMN1; SMN2 (0.40) | SMN1; SMN2ALDH1A1BTKCHRNB2CHRNB4 | |
| SCHEMBL62434 | 0.70 | SMN1; SMN2 (0.50) | KMT2ASMN1; SMN2ALDH1A1BTKCHRNB2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009013293-A1 | SUBSTITUTED CYCLOHEXANECARBOXAMIDES USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2009-01-29 | — | — | WO | disclosed |