Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PDE4A | P27815 | 4/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9701899 | 0.83 | PARP1 (0.51) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9703287 | 0.81 | CA1 (0.46) | ALDH1A1 | |
| SCHEMBL9701949 | 0.74 | MAOB (0.54) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9701638 | 0.72 | EGFR (0.38) | TAAR1 | |
| SCHEMBL9700877 | 0.71 | TAAR1 (0.39) | ALDH1A1TAAR1 | |
| SCHEMBL9701621 | 0.71 | ALDH1A1 (0.57) | ALDH1A1GAATAAR1 | |
| Hydrochloric Acid SCHEMBL15973431 | 0.69 | KDM4E (0.47) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL40552 | 0.68 | ALDH1A1 (0.61) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| 3,5-Dimethoxybenzoic Acid SCHEMBL6885267 | 0.68 | RXRA (0.53) | ALDH1A1KDM4EGAA | |
| SCHEMBL11110192 | 0.68 | ALDH1A1 (0.42) | ALDH1A1KDM4EGAATAAR1NQO2 |
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-5120764-A | Administering penicillamine and allenylamines to inhibit crosslinking of collagen | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-06-09 | — | — | US | disclosed |
| EP-0374440-A2 | Inhibitors of lysyl oxidase | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-06-27 | — | — | EP | disclosed |