Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.64 |
| ▸ | JAK2 | O60674 | 1/20 | 0.57 |
| ▸ | TYK2 | P29597 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | NAAA | Q02083 | 2/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7966915 | 0.84 | CA9 (0.54) | EPHX1ALDH1A1CA9LMNAHTT | |
| SCHEMBL7104425 | 0.83 | HDAC4 (0.63) | ALDH1A1MAPK1HDAC3HDAC1HDAC4 | |
| SCHEMBL8915063 | 0.82 | CA9 (0.58) | ALDH1A1CA9GAALMNARAB9A | |
| SCHEMBL7904143 | 0.81 | KMT2A (0.71) | ALDH1A1CA9GAALMNAMAPK1 | |
| SCHEMBL7901763 | 0.81 | KMT2A (0.71) | ALDH1A1CA9GAALMNAMAPK1 | |
| SCHEMBL8915308 | 0.81 | CA9 (0.60) | ALDH1A1CA9GAALMNARAB9A | |
| SCHEMBL8916068 | 0.79 | L3MBTL1 (0.56) | ALDH1A1CA9GAALMNAHPGD | |
| SCHEMBL8917236 | 0.79 | L3MBTL1 (0.56) | ALDH1A1CA9GAALMNAHPGD | |
| SCHEMBL8916892 | 0.79 | L3MBTL1 (0.56) | ALDH1A1CA9GAALMNAHPGD | |
| SCHEMBL8916496 | 0.79 | L3MBTL1 (0.56) | ALDH1A1CA9GAALMNAHPGD |
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-0984938-B1 | CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS | LEO PHARMA AS WITH SECONDARY N (DK) | 2003-09-10 | — | — | EP | disclosed |
| US-6346541-B1 | ANTITUMOR AND ANTICARCINOGENIC AGENTS FOR BREAST, LUNG, AND SKIN CANCER | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) | 2002-02-12 | — | — | US | disclosed |