Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA7 | P43166 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9703351 | 0.85 | CA12 (0.42) | ALDH1A1GFERCA12CA1CA2 | |
| SCHEMBL9702223 | 0.77 | KDM4E (0.42) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL9700880 | 0.74 | ALDH1A1 (0.39) | ALDH1A1CA1CA2TSHRLMNA | |
| SCHEMBL9702759 | 0.72 | MAPT (0.41) | ALDH1A1GFERCA12CA1CA2 | |
| SCHEMBL9702052 | 0.70 | ALDH1A1 (0.46) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL9701638 | 0.68 | EGFR (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9700906 | 0.68 | EGFR (0.43) | ALDH1A1GFERCA12CA1CA2 | |
| SCHEMBL11107666 | 0.68 | ALDH1A1 (0.47) | ALDH1A1GFERCES2CA12CA1 | |
| SCHEMBL9701941 | 0.68 | TYR (0.47) | TSHRMEN1KMT2AHTTTYR | |
| SCHEMBL9701867 | 0.67 | CA2 (0.37) | ALDH1A1CA12CA1CA2CA7 |
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 |