Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN5 | P54829 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL97617 | 0.83 | MGLL (0.45) | PTPN5XDHSLC22A12MMP12MMP13 | |
| SCHEMBL18874455 | 0.80 | CLK4 (0.52) | PTPN5XDHSLC22A12MMP12MMP13 | |
| SCHEMBL6215483 | 0.80 | GABRG2 (0.45) | PTPN5HSD17B1HSD17B2 | |
| SCHEMBL2321571 | 0.80 | PTPN5 (0.42) | PTPN5XDHSLC22A12HSD17B1HSD17B2 | |
| SCHEMBL2322395 | 0.80 | ESR1 (0.61) | XDHSLC22A12HSD17B1HSD17B2CYP3A4 | |
| SCHEMBL3947358 | 0.78 | MEN1 (0.55) | HSD17B1HSD17B2CYP3A4CYP2C9MEN1 | |
| SCHEMBL97068 | 0.76 | — | — | |
| SCHEMBL2321711 | 0.76 | KIF11 (0.53) | PTPN5MGLL | |
| SCHEMBL9321615 | 0.73 | HSD17B1 (0.44) | HSD17B1HSD17B2CYP3A4CYP2C9MEN1 | |
| SCHEMBL27664209 | 0.73 | MEN1 (0.50) | HSD17B1HSD17B2CYP3A4CYP2C9MEN1 |
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-4252719-A | REMOVAL OF A TERTIARY HYDROGEN FROM A 5-A-STEROID BY CHLORINATING THE STEROID BEING FIRST ESTERIFIED BY AN IODOARYL-CONTAINING ESTERIFICATION AGENT | RESEARCH CORPORATION (US) | 1981-02-24 | — | — | US | claimed |
| US-4323512-A | Process for the preparation of steroidal 17α-arylcarboxylates | SCHERING CORPORATION (US) | 1982-04-06 | — | — | US | disclosed |