Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 4/20 | 0.33 |
| ▸ | BCHE | P06276 | 3/20 | 0.33 |
| ▸ | STS | P08842 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20158011 | 0.90 | CA12 (0.38) | CA12CA14CA1CA7MTNR1A | |
| SCHEMBL20158056 | 0.83 | ACHE (0.35) | MTNR1AMTNR1BALDH1A1HPGDCYP1A2 | |
| SCHEMBL21564702 | 0.75 | CA12 (0.40) | CA12CA14CA1CA7ALDH1A1 | |
| SCHEMBL21550081 | 0.74 | CA12 (0.39) | CA12CA14CA1CA7ALDH1A1 | |
| SCHEMBL20157726 | 0.72 | ACHE (0.34) | MTNR1AMTNR1BALDH1A1HPGDCYP1A2 | |
| SCHEMBL20157485 | 0.72 | ALDH1A1 (0.41) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL21362768 | 0.71 | PPARG (0.36) | MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL21557859 | 0.71 | ALDH1A1 (0.40) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL20157679 | 0.71 | ALDH1A1 (0.40) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL21362523 | 0.70 | ACHE (0.33) | MTNR1AMTNR1BALDH1A1ACHEBCHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |