Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 5/20 | 0.33 |
| ▸ | CA1 | P00915 | 5/20 | 0.33 |
| ▸ | CA2 | P00918 | 5/20 | 0.33 |
| ▸ | CA9 | Q16790 | 5/20 | 0.33 |
| ▸ | CA7 | P43166 | 4/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.32 |
| ▸ | IDO1 | P14902 | 3/20 | 0.31 |
| ▸ | USP2 | O75604 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8936043 | 0.81 | NPSR1 (0.42) | ALDH1A1GAASMN1; SMN2NPSR1CA12 | |
| SCHEMBL8786752 | 0.74 | CA12 (0.39) | ALDH1A1CYP1A2CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL8936019 | 0.68 | KDM5B (0.35) | ALDH1A1GAACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8936016 | 0.67 | HTT (0.43) | ALDH1A1GAAHPGDSMN1; SMN2LMNA | |
| SCHEMBL23990643 | 0.65 | CA12 (0.46) | ALDH1A1GAAHPGDSMN1; SMN2NPSR1 | |
| SCHEMBL23989979 | 0.63 | CA12 (0.44) | SMN1; SMN2NPSR1CA12CA1CA2 | |
| SCHEMBL967834 | 0.60 | ELANE (0.46) | ALDH1A1GAACYP1A2SMN1; SMN2CYP4F2 | |
| SCHEMBL23991175 | 0.60 | CA12 (0.34) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL162731 | 0.60 | CA12 (0.40) | ALDH1A1CYP4F2CYP4A11NPSR1CA12 | |
| SCHEMBL23990406 | 0.59 | CA12 (0.36) | ALDH1A1CYP1A2CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5486531-A | ANGINA, HYPOTENSIVE AGENTS, ERECTILE DYSFUNCTION | CASSELLA AKTIENGESELLSCHAFT (DE) | 1996-01-23 | — | — | US | disclosed |