Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.67 |
| ▸ | LMNA | P02545 | 4/20 | 0.67 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.67 |
| ▸ | TSHR | P16473 | 3/20 | 0.67 |
| ▸ | MEN1 | O00255 | 3/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.67 |
| ▸ | SHBG | P04278 | 3/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.67 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.67 |
| ▸ | BLM | P54132 | 2/20 | 0.67 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.67 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.67 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.67 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL548134 | 1.00 | ESR1 (0.67) | ESR1HSD17B10LMNAESR2TSHR | |
| SCHEMBL3868012 | 1.00 | ESR1 (0.67) | ESR1HSD17B10LMNAESR2TSHR | |
| SCHEMBL11874816 | 0.89 | ESR1 (0.68) | ESR1HSD17B10LMNAESR2TSHR | |
| SCHEMBL5460095 | 0.89 | ESR1 (0.68) | ESR1HSD17B10LMNAESR2TSHR | |
| SCHEMBL711024 | 0.89 | ESR1 (0.68) | ESR1HSD17B10LMNAESR2TSHR | |
| SCHEMBL4749408 | 0.88 | ESR1 (0.67) | ESR1HSD17B10LMNAESR2TSHR | |
| SCHEMBL10794417 | 0.88 | ESR1 (0.67) | ESR1HSD17B10LMNAESR2TSHR | |
| SCHEMBL10794423 | 0.88 | ESR1 (0.67) | ESR1HSD17B10LMNAESR2TSHR | |
| SCHEMBL10792759 | 0.87 | ESR1 (0.65) | ESR1HSD17B10LMNAESR2TSHR | |
| SCHEMBL10792763 | 0.87 | ESR1 (0.65) | ESR1HSD17B10LMNAESR2TSHR |
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-0044105-B1 | NEW 8-ALPHA-OESTRA-1,3,5(10)-TRIENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | AKZO N.V. (NL) | 1984-10-03 | — | — | EP | claimed |
| EP-0044105-B1 | NEW 8-ALPHA-OESTRA-1,3,5(10)-TRIENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | AKZO N.V. (NL) | 1984-10-03 | — | — | EP | disclosed |