Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | LSS | P48449 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15338626 | 0.83 | HRH3 (0.41) | SIGMAR1S1PR5DPP4HRH4HRH3 | |
| SCHEMBL16081738 | 0.83 | S1PR1 (0.51) | ALDH1A1KDM4ES1PR5GAAMEN1 | |
| SCHEMBL2764614 | 0.82 | FUCA1 (0.56) | ALDH1A1SIGMAR1S1PR5DPP4ACHE | |
| SCHEMBL1574151 | 0.82 | FUCA1 (0.56) | ALDH1A1SIGMAR1S1PR5DPP4ACHE | |
| SCHEMBL2765256 | 0.82 | FUCA1 (0.56) | ALDH1A1SIGMAR1S1PR5DPP4ACHE | |
| SCHEMBL3771769 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KDM4ESIGMAR1S1PR5GAA | |
| SCHEMBL25467280 | 0.79 | KDM4E (0.56) | ALDH1A1KDM4ES1PR5BCHEACHE | |
| SCHEMBL19502865 | 0.79 | SIGMAR1 (0.54) | ALDH1A1KDM4ESIGMAR1MEN1KMT2A | |
| SCHEMBL22719602 | 0.79 | KDM4E (0.56) | ALDH1A1KDM4ES1PR5BCHEACHE | |
| SCHEMBL23507539 | 0.77 | DPP4 (0.47) | ALDH1A1KDM4ESIGMAR1S1PR5GAA |
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-2008010238-A2 | ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS | LUPIN LIMITED (IN) | 2008-01-24 | — | — | WO | disclosed |
| WO-2008010238-A2 | ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS | LUPIN LIMITED (IN) | 2008-01-24 | — | — | WO | disclosed |