Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.67 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2248829 | 0.80 | CYP2A6 (1.00) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL3106949 | 0.78 | CYP2A6 (0.70) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL18666075 | 0.78 | CYP2A6 (0.67) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL16398945 | 0.78 | CYP2A6 (0.67) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL655428 | 0.78 | CYP2A6 (1.00) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL3113993 | 0.78 | CYP2A6 (0.67) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL2792315 | 0.78 | CYP2A6 (0.67) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL1567143 | 0.78 | CYP2A6 (0.67) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL2537423 | 0.78 | CYP2A6 (0.67) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL91157 | 0.78 | CYP2A6 (0.67) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 |
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-2009113320-A1 | MMP INHIBITOR | 株式会社ヤクルト本社 (JP) | 2009-09-17 | — | — | WO | disclosed |