Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | PPARA | Q07869 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11136753 | 0.85 | EPHX1 (0.59) | EGFRCA12CA1CA2CA9 | |
| SCHEMBL11140844 | 0.82 | CA12 (0.48) | EGFRCA12CA1CA2CA9 | |
| SCHEMBL11138778 | 0.80 | APEX1 (0.60) | EGFRCA12CA1CA2CA9 | |
| SCHEMBL7333221 | 0.79 | KMT2A (0.47) | EGFRNPSR1HPGDHDAC3HDAC4 | |
| SCHEMBL9435552 | 0.78 | GAA (0.56) | EGFRCA12CA1CA2CA9 | |
| SCHEMBL11138571 | 0.78 | HPGD (0.60) | EGFRCA12CA1CA2CA9 | |
| SCHEMBL2448810 | 0.77 | HDAC6 (0.65) | EGFRCA12CA1CA2CA9 | |
| SCHEMBL11133780 | 0.76 | NPSR1 (0.56) | NPSR1ALDH1A1HPGDL3MBTL1LMNA | |
| SCHEMBL11138092 | 0.75 | HDAC6 (0.51) | EGFRCA12CA1CA2CA9 | |
| SCHEMBL11141900 | 0.75 | POLB (0.54) | CA12CA1CA2CA9ALDH1A1 |
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-4387105-A | ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS | AMERICAN CYANAMID COMPANY | 1983-06-07 | — | — | US | claimed |
| US-4387105-A | ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS | AMERICAN CYANAMID COMPANY | 1983-06-07 | — | — | US | disclosed |