Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.53 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14639197 | 0.78 | PDE4A (0.59) | PDE4ACYP1A2TSHRNPSR1TP53 | |
| SCHEMBL358173 | 0.78 | CYP1A2 (0.41) | PDE4ACYP1A2TSHRCYP3A4GABRA1 | |
| SCHEMBL21840509 | 0.75 | IRAK4 (0.46) | PDE4AIRAK4TSHRNPSR1CYP3A4 | |
| SCHEMBL17781174 | 0.74 | PDE4A (0.48) | PDE4ACYP1A2TSHRTP53ALDH1A1 | |
| SCHEMBL9101865 | 0.74 | IRAK4 (0.54) | PDE4AIRAK4KDM4E | |
| SCHEMBL25482782 | 0.73 | IRAK4 (0.45) | PDE4AIRAK4CYP1A2TSHRNPSR1 | |
| SCHEMBL17522143 | 0.73 | TSHR (0.52) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL31364057 | 0.72 | PDE4A (0.41) | PDE4AGABRA1GABRB2LMNAALDH1A1 | |
| SCHEMBL17339124 | 0.72 | MAPK1 (0.51) | CYP1A2TSHRNPSR1CA12CA1 | |
| SCHEMBL14656701 | 0.72 | EGLN1 (0.53) | PDE4ACYP1A2CA12CA1CA2 |
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-111212840-B | Heteroaryl compounds as positive allosteric modulators of the muscarinic M1 receptor | 苏文生命科学有限公司 | 2022-07-22 | — | — | CN | disclosed |