Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.62 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.62 |
| ▸ | CA12 | O43570 | 3/20 | 0.57 |
| ▸ | CA9 | Q16790 | 3/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | CA4 | P22748 | 2/20 | 0.57 |
| ▸ | CA6 | P23280 | 2/20 | 0.57 |
| ▸ | CA5A | P35218 | 2/20 | 0.57 |
| ▸ | CA7 | P43166 | 2/20 | 0.57 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | PPARG | P37231 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.55 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.55 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8000954 | 0.88 | ESR1 (0.62) | ESR1CYP19A1CA12CA9CA1 | |
| SCHEMBL27532364 | 0.85 | HDAC3 (0.47) | ESR1CYP19A1CA12CA9CA1 | |
| SCHEMBL25120831 | 0.82 | ESR1 (0.58) | ESR1CYP19A1LMNARAB9AMEN1 | |
| SCHEMBL1928662 | 0.80 | CA12 (0.85) | CA12CA9CA1CA2CA4 | |
| SCHEMBL6243996 | 0.80 | CA12 (0.85) | CA12CA9CA1CA2CA4 | |
| SCHEMBL9569774 | 0.78 | ESR1 (0.52) | ESR1CA12CA9CA1CA2 | |
| SCHEMBL29700234 | 0.76 | HTR6 (0.51) | ESR1CYP19A1CA12CA9CA1 | |
| SCHEMBL1395600 | 0.76 | CA12 (0.78) | CA12CA9CA1CA2CA4 | |
| SCHEMBL7169850 | 0.75 | NLRP3 (0.64) | — | |
| SCHEMBL6554626 | 0.75 | NLRP3 (0.60) | ESR1CYP19A1CA1CA2HDAC3 |
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-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 |