Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 3/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 9/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR1D | P28221 | 2/20 | 0.38 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL9835645 | 0.79 | ALDH1A1 (0.37) | CYP2D6LTA4HHTR1AHTR1D | |
| SCHEMBL9836563 | 0.79 | ADRA2C (0.36) | CXCR4LTA4H | |
| SCHEMBL9836638 | 0.78 | CYP2C19 (0.41) | CYP2D6HTR1AHTR1DLMNA | |
| SCHEMBL9835190 | 0.76 | HTR1A (0.35) | CYP2D6LTA4HHTR1AHTR1D | |
| SCHEMBL9834580 | 0.76 | HRH1 (0.36) | CXCR4CYP3A4HTR1AHTR1D | |
| SCHEMBL9836619 | 0.75 | CXCR4 (0.42) | CXCR4CYP2D6CYP3A4LTA4HLMNA | |
| SCHEMBL9836246 | 0.71 | MTNR1A (0.40) | HTR1AHTR1DLMNA | |
| SCHEMBL9835877 | 0.69 | GRIN1 (0.42) | OPRL1CXCR4CYP2D6CYP3A4GRIN1 | |
| SCHEMBL21784360 | 0.68 | HDAC1 (0.51) | OPRL1CXCR4CYP2D6CYP3A4GRIN1 | |
| SCHEMBL9837005 | 0.67 | MAOA (0.41) | OPRL1HTR1AHTR1D |
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-0129879-B1 | A [1] benzepino(3,4-b)pyridine derivative | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1991-09-11 | — | — | EP | claimed |
| EP-0129879-B1 | A [1] benzepino(3,4-b)pyridine derivative | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1991-09-11 | — | — | EP | disclosed |