Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PREP | P48147 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL20012668 | 1.00 | TSHR (0.39) | TSHRHPGDKMT2AMEN1CHRM2 | |
| SCHEMBL22368463 | 1.00 | TSHR (0.39) | TSHRHPGDKMT2AMEN1CHRM2 | |
| SCHEMBL20012669 | 1.00 | TSHR (0.39) | TSHRHPGDKMT2AMEN1CHRM2 | |
| SCHEMBL22368493 | 0.75 | ALDH1A1 (0.44) | TSHRHPGDKMT2AMEN1ALDH1A1 | |
| SCHEMBL20012750 | 0.75 | ALDH1A1 (0.44) | TSHRHPGDKMT2AMEN1ALDH1A1 | |
| SCHEMBL22368490 | 0.75 | ALDH1A1 (0.44) | TSHRHPGDKMT2AMEN1ALDH1A1 | |
| SCHEMBL21088072 | 0.75 | ALDH1A1 (0.44) | TSHRHPGDKMT2AMEN1ALDH1A1 | |
| SCHEMBL22368471 | 0.75 | KDM4E (0.45) | TSHRHPGDKMT2AMEN1CYP2C19 | |
| SCHEMBL19990744 | 0.75 | KDM4E (0.45) | TSHRHPGDKMT2AMEN1CYP2C19 | |
| SCHEMBL21981530 | 0.75 | KDM4E (0.45) | TSHRHPGDKMT2AMEN1CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3698796-A1 | PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS | Novartis AG (CH) | 2020-08-26 | — | — | EP | disclosed |