Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6592711 | 0.80 | SMN1; SMN2 (0.50) | KDM4EALDH1A1SMN1; SMN2CYP2A6CYP1A2 | |
| SCHEMBL2075610 | 0.78 | S1PR3 (0.43) | KDM4EALDH1A1SMN1; SMN2CYP2A6 | |
| SCHEMBL10676226 | 0.76 | ADORA2A (0.35) | KDM4EALDH1A1SMN1; SMN2CYP2A6CYP1A2 | |
| SCHEMBL7473254 | 0.76 | FBP1 (0.46) | KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL1852173 | 0.76 | SMN1; SMN2 (0.46) | KDM4EALDH1A1SMN1; SMN2CYP2A6CYP1A2 | |
| SCHEMBL6225101 | 0.76 | KDM4E (0.46) | KDM4EALDH1A1SMN1; SMN2CYP2A6CYP1A2 | |
| SCHEMBL356291 | 0.76 | ALDH1A1 (0.46) | KDM4EALDH1A1SMN1; SMN2CYP2A6CYP1A2 | |
| SCHEMBL1824296 | 0.76 | KDM4E (0.46) | KDM4EALDH1A1SMN1; SMN2CYP2A6CYP1A2 | |
| SCHEMBL2270763 | 0.73 | KDM4E (0.55) | KDM4EALDH1A1SMN1; SMN2CYP2A6CYP1A2 | |
| SCHEMBL3313764 | 0.72 | KDM4E (0.50) | KDM4EALDH1A1SMN1; SMN2CYP2A6CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0691967-B1 | NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS | EISAI CO LTD (JP) | 1998-09-02 | — | — | EP | disclosed |
| US-5707998-A | CYCLIC-GMP PHOSPHODIESTERASE INHIBITORS, TREATING CARDIOVASCULAR DISORDERS AND ASTHMA | EISAI CO., LTD. (JP) | 1998-01-13 | — | — | US | disclosed |
| WO-1994022855-A1 | NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS | EISAI CO., LTD. (JP) | 1994-10-13 | — | — | WO | disclosed |