Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | FBP1 | P09467 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8000954 | 0.90 | ESR1 (0.62) | ESR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9569790 | 0.82 | IDH1 (0.48) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL9486495 | 0.80 | CA12 (0.66) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL9569776 | 0.78 | IDH1 (0.55) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL9569788 | 0.78 | ESR1 (0.62) | ESR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9487105 | 0.78 | MEN1 (0.62) | CA12CA1CA2CA9FBP1 | |
| SCHEMBL31668688 | 0.77 | MAOA (0.66) | EPHX1MAOBMAOANPC1MAPT | |
| SCHEMBL9569778 | 0.76 | CNR1 (0.59) | CA12CA1CA2CA9FBP1 | |
| SCHEMBL9573254 | 0.76 | CA12 (0.47) | CA12CA1CA2CA9FBP1 | |
| SCHEMBL9487743 | 0.76 | CA12 (0.58) | CA12CA1CA2CA9FBP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1076447-A | Anti-tumor compositions and methods of treatment | LILLY CO ELI (US) | 1993-09-22 | — | — | CN | disclosed |
| EP-0560554-A2 | Antitumor compositions and methods of treatment | ELI LILLY AND COMPANY (US) | 1993-09-15 | — | — | EP | disclosed |
| US-5169860-A | Benzofuran or benzothiophene arylsulfonylureas | ELI LILLY AND COMPANY (US) | 1992-12-08 | — | — | US | disclosed |