Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 2/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.31 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.31 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.31 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.31 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.31 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.31 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.31 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.31 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31707649 | 1.00 | NOTUM (0.33) | NOTUMTDO2GRM5KMOCTDSP1 | |
| SCHEMBL31062447 | 0.78 | PTGDR2 (0.43) | KMOCYP1A2 | |
| SCHEMBL31707645 | 0.73 | GRM5 (0.37) | NOTUMTDO2GRM5KMOCTDSP1 | |
| SCHEMBL27349280 | 0.73 | GRM5 (0.37) | NOTUMTDO2GRM5KMOCTDSP1 | |
| SCHEMBL27348799 | 0.71 | HTR1A (0.33) | — | |
| SCHEMBL31062280 | 0.70 | MTNR1A (0.41) | GRM5KMO | |
| SCHEMBL26613699 | 0.70 | — | — | |
| SCHEMBL15228960 | 0.68 | BUB1 (0.32) | — | |
| SCHEMBL21932290 | 0.68 | CYP2A6 (0.32) | — | |
| SCHEMBL30128445 | 0.68 | CYP2A6 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024128305-A1 | 2-AZABICYCLO[3.1.1]HEPTANE COMPOUND | 第一三共株式会社 | 2024-06-20 | — | — | WO | disclosed |
| WO-2024128305-A1 | 2-AZABICYCLO[3.1.1]HEPTANE COMPOUND | 第一三共株式会社 | 2024-06-20 | — | — | WO | disclosed |