Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 5/20 | 0.33 |
| ▸ | DRD4 | P21917 | 5/20 | 0.33 |
| ▸ | DRD3 | P35462 | 5/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | FFAR2 | O15552 | 3/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.31 |
| ▸ | CMA1 | P23946 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | F10 | P00742 | 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 | |
|---|---|---|---|---|
| SCHEMBL7094297 | 0.82 | BCHE (0.42) | SMN1; SMN2DRD2DRD4DRD3 | |
| SCHEMBL5234914 | 0.80 | CYP2C9 (0.41) | SMN1; SMN2DRD4DDB1CRBN | |
| SCHEMBL5230507 | 0.67 | MAPT (0.43) | CHRNA7SMN1; SMN2CRHBPCRHR2DRD2 | |
| SCHEMBL7007730 | 0.66 | CCR2 (0.36) | — | |
| SCHEMBL15596049 | 0.63 | CHRNA7 (0.51) | CHRNA7SMN1; SMN2CRHBPCRHR2FAAH | |
| SCHEMBL7068604 | 0.61 | CYP2A6 (0.62) | CHRNA7SMN1; SMN2CRHBPCRHR2CYP2A6 | |
| SCHEMBL24939864 | 0.59 | CHRNA7 (0.49) | CHRNA7SMN1; SMN2CRHBPCRHR2FAAH | |
| SCHEMBL10210828 | 0.59 | CHRNA7 (0.97) | CHRNA7SMN1; SMN2CRHBPCRHR2FAAH | |
| SCHEMBL807363 | 0.58 | CHRNA7 (1.00) | CHRNA7SMN1; SMN2CRHBPCRHR2FAAH | |
| SCHEMBL877544 | 0.58 | KMT2A (0.57) | SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1296961-A1 | 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-02 | — | — | EP | disclosed |
| WO-2001090083-A1 | 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-29 | — | — | WO | disclosed |