Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 4/20 | 0.69 |
| ▸ | LMNA | P02545 | 2/20 | 0.69 |
| ▸ | MAPT | P10636 | 2/20 | 0.69 |
| ▸ | RECQL | P46063 | 1/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.69 |
| ▸ | STS | P08842 | 10/20 | 0.68 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.67 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | ESR1 | P03372 | 2/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.64 |
| ▸ | CA1 | P00915 | 2/20 | 0.64 |
| ▸ | CA2 | P00918 | 2/20 | 0.64 |
| ▸ | CA9 | Q16790 | 2/20 | 0.64 |
| ▸ | CA4 | P22748 | 1/20 | 0.64 |
| ▸ | CA6 | P23280 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL9790047 | 0.87 | CYP3A4 (0.74) | HSD17B1LMNAMAPTRECQLSMN1; SMN2 | |
| SCHEMBL15865387 | 0.85 | HSD17B1 (0.76) | HSD17B1LMNAMAPTRECQLSMN1; SMN2 | |
| SCHEMBL17980840 | 0.84 | KDM4E (0.72) | HSD17B1LMNAMAPTRECQLSMN1; SMN2 | |
| SCHEMBL17816101 | 0.84 | HSD17B1 (0.74) | HSD17B1LMNAMAPTRECQLSMN1; SMN2 | |
| SCHEMBL19850508 | 0.84 | HSD17B1 (0.74) | HSD17B1LMNAMAPTRECQLSMN1; SMN2 | |
| SCHEMBL194231 | 0.83 | HSD17B1 (0.81) | HSD17B1LMNAMAPTRECQLSMN1; SMN2 | |
| SCHEMBL27479943 | 0.83 | HSD17B1 (0.81) | HSD17B1LMNAMAPTRECQLSMN1; SMN2 | |
| SCHEMBL6684274 | 0.83 | HSD17B1 (0.84) | HSD17B1LMNAMAPTRECQLSMN1; SMN2 | |
| Estrone Acetate SCHEMBL6241050 | 0.83 | CYP3A4 (0.76) | HSD17B1LMNAMAPTRECQLSMN1; SMN2 | |
| Estrone Acetate SCHEMBL20006536 | 0.83 | CYP3A4 (0.76) | HSD17B1LMNAMAPTRECQLSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4568673-A | NITROESTRONE ETHERS OR HYDROXY COMPOUNDS; MAMMARY TUMORS | WAYNE STATE UNIVERSITY (US) | 1986-02-04 | — | — | US | disclosed |