Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28861886 | 0.97 | LMNA (0.44) | POLBLMNATSHRCYP1A2CYP3A4 | |
| SCHEMBL28232829 | 0.93 | LMNA (0.46) | POLBLMNATSHRCYP1A2CYP3A4 | |
| SCHEMBL17162079 | 0.89 | APP (0.47) | LMNATSHRRECQLNPC1MAPT | |
| SCHEMBL29561285 | 0.85 | NPC1 (0.53) | LMNATSHRL3MBTL1RECQLNPC1 | |
| SCHEMBL28559200 | 0.82 | POLB (0.44) | POLBLMNAL3MBTL1CA12CA1 | |
| SCHEMBL25268224 | 0.81 | CA12 (0.52) | POLBLMNATSHRCYP1A2CYP3A4 | |
| SCHEMBL27574189 | 0.79 | NPC1 (0.48) | LMNATSHRCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28904086 | 0.78 | MEN1 (0.59) | LMNATSHRL3MBTL1RECQLNPC1 | |
| SCHEMBL27982971 | 0.77 | RAB9A (0.62) | POLBLMNATSHRL3MBTL1NPC1 | |
| SCHEMBL25507942 | 0.76 | HTT (0.67) | POLBLMNATSHRCYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105164136-A | Macrocyclic compounds as kinase inhibitors | MERCK PATENT GMBH | 2015-12-16 | — | — | CN | disclosed |