Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 2/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 8/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9835639 | 0.79 | ALDH1A1 (0.42) | LTA4HALDH1A1CYP2D6 | |
| SCHEMBL9835161 | 0.79 | HRH3 (0.38) | LTA4H | |
| SCHEMBL9836629 | 0.78 | CYP2C19 (0.41) | LMNAALDH1A1CYP2D6 | |
| SCHEMBL9834971 | 0.76 | ALDH1A1 (0.36) | LTA4HALDH1A1 | |
| SCHEMBL9834568 | 0.76 | HSP90AA1 (0.38) | CYP3A4 | |
| SCHEMBL9836609 | 0.75 | MEN1 (0.41) | CXCR4LMNACYP3A4CYP2D6 | |
| SCHEMBL9836237 | 0.71 | ALDH1A1 (0.41) | LMNAALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL11012750 | 0.70 | KIT (0.36) | ALDH1A1CYP2D6SMN1; SMN2 | |
| SCHEMBL9837035 | 0.69 | OPRL1 (0.42) | GRIN1GRIN2BCXCR4LTA4HCXCL12 | |
| SCHEMBL11016894 | 0.68 | CYP2D6 (0.37) | CYP2D6 |
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 |