Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KDM4A | O75164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6205122 | 0.80 | PTGS1 (0.36) | IDH1TAAR1CYP2A6DRD2DRD3 | |
| SCHEMBL17818217 | 0.78 | ACHE (0.33) | CYP2A6CYP1A2 | |
| SCHEMBL2852601 | 0.75 | CALM1 (0.41) | IDH1SMN1; SMN2CYP2C19LTA4HMEN1 | |
| SCHEMBL28781258 | 0.74 | TAAR1 (0.32) | TAAR1CYP2A6PTGS1PTGS2CYP1A2 | |
| SCHEMBL10673816 | 0.74 | TAAR1 (0.38) | IDH1TAAR1CYP2A6DRD2DRD3 | |
| SCHEMBL8396038 | 0.72 | ACHE (0.37) | TAAR1PTGS1PTGS2ALDH1A1MAPT | |
| SCHEMBL16601073 | 0.72 | MEN1 (0.37) | TAAR1MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL21694240 | 0.71 | SHBG (0.41) | PTGS1PTGS2MEN1ALDH1A1KMT2A | |
| SCHEMBL28179638 | 0.70 | LTA4H (0.47) | IDH1TAAR1PTGS1PTGS2PRMT6 | |
| SCHEMBL27767688 | 0.70 | LTA4H (0.46) | IDH1TAAR1SMN1; SMN2LTA4HALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |