Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1B | P49286 | 4/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.40 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8844829 | 0.83 | KCNA3 (0.46) | MTNR1BMTNR1AKCNA3HTR2CCCR2 | |
| SCHEMBL2797897 | 0.82 | ALDH1A1 (0.51) | MAPT | |
| SCHEMBL2800336 | 0.79 | TNFRSF1A (0.43) | MTNR1BMTNR1AKCNA3HTR2CCCR2 | |
| SCHEMBL2798034 | 0.78 | CCR2 (0.39) | MTNR1BMTNR1AHTR2CCCR2HTR6 | |
| SCHEMBL17576252 | 0.78 | KDM4E (0.49) | KCNA3HTR2CCYP19A1NQO2GAA | |
| SCHEMBL2799840 | 0.77 | HTR6 (0.47) | CCR2CYP19A1NQO2GAAHTR6 | |
| SCHEMBL9499742 | 0.76 | DAO (0.51) | HTR2CDAOCYP19A1NQO2GAA | |
| SCHEMBL11999979 | 0.74 | KDM4E (0.44) | CYP19A1NQO2GAAMAPT | |
| SCHEMBL7958454 | 0.74 | HTR2C (0.60) | HTR2CHTR6 | |
| SCHEMBL2795704 | 0.71 | CYP19A1 (0.37) | CCR2CYP19A1NQO2MAPT |
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-105367583-A | THIENO[2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS | UNIV LEUVEN KATH | 2016-03-02 | — | — | CN | disclosed |
| CN-102459280-B | Thieno [2,3-b ] pyridine derivatives as inhibitors of viral replication | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2015-10-14 | — | — | CN | disclosed |