Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 6/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.37 |
| ▸ | CYP2J2 | P51589 | 3/20 | 0.37 |
| ▸ | VNN1 | O95497 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL12748447 | 0.83 | SLC6A2 (0.50) | SLC6A2SLC6A4KCNH2CYP2D6TACR1 | |
| SCHEMBL27617849 | 0.81 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3HTR2C | |
| Hydrochloric Acid SCHEMBL1475900 | 0.81 | SLC6A2 (0.49) | SLC6A2SLC6A4KCNH2CYP2D6TACR1 | |
| SCHEMBL27618092 | 0.75 | SLC6A2 (0.31) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6739993 | 0.75 | EPHX2 (0.43) | SLC6A2SLC6A4TACR1SLC6A3CYP2C9 | |
| SCHEMBL27618036 | 0.71 | — | — | |
| SCHEMBL534254 | 0.70 | CXCL8 (0.58) | VNN1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL29782307 | 0.70 | CXCL8 (0.58) | VNN1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL6963700 | 0.70 | VNN1 (0.47) | SLC6A3CYP2C9EPHX2CYP2J2VNN1 | |
| SCHEMBL27617861 | 0.70 | SLC6A2 (0.50) | SLC6A2SLC6A4KCNH2CYP2D6TACR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100389113-C | Nitrogen-containing heterocyclic compound and drug containing same | EISAI CO LTD (JP) | 2008-05-21 | — | — | CN | disclosed |
| CN-1630650-A | Nitrogen-containing heterocyclic compound and drug containing same | EISAI CO LTD (JP) | 2005-06-22 | — | — | CN | disclosed |