Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | IKZF1 | Q13422 | 1/20 | 0.38 |
| ▸ | IKZF2 | Q9UKS7 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11447318 | 0.89 | KDM4E (0.49) | ALDH1A1KDM4EGAAMAPTDRD2 | |
| SCHEMBL11446656 | 0.87 | KDM4E (0.47) | ALDH1A1KDM4EGAAMAPTDRD2 | |
| SCHEMBL11447679 | 0.86 | KDM4E (0.46) | ALDH1A1KDM4EGAAMAPTDRD2 | |
| SCHEMBL11446731 | 0.85 | KDM4E (0.46) | ALDH1A1KDM4EGAAMAPTDRD2 | |
| SCHEMBL11447755 | 0.84 | PARP1 (0.47) | ALDH1A1KDM4EMAPTDRD2PARP1 | |
| SCHEMBL11445703 | 0.79 | ALDH1A1 (0.53) | ALDH1A1KDM4EGAAMAPTDRD2 | |
| SCHEMBL11448423 | 0.78 | DRD4 (0.47) | ALDH1A1KDM4EDRD2DRD4CCR2 | |
| SCHEMBL25354038 | 0.77 | IKZF2 (0.43) | ALDH1A1KDM4EMAPTDRD2DRD4 | |
| SCHEMBL11447852 | 0.76 | KDM4E (0.48) | ALDH1A1KDM4EGAAMAPTCYP2D6 | |
| SCHEMBL11449006 | 0.75 | HTR2C (0.48) | ALDH1A1DRD2DRD4PARP1DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4203987-A | HYPOTENSIVE AGENTS, ANTISECRETORY AGENTS, ANTIULCER AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1980-05-20 | — | — | US | claimed |
| US-4203987-A | HYPOTENSIVE AGENTS, ANTISECRETORY AGENTS, ANTIULCER AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1980-05-20 | — | — | US | disclosed |