Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.54 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.54 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL46838 | 0.95 | ESR1 (0.62) | ESR1LMNATSHRCYP3A4MAPK1 | |
| SCHEMBL16349527 | 0.89 | LMNA (0.64) | ESR1LMNATSHRALDH1A1NPC1 | |
| SCHEMBL3870306 | 0.89 | TSHR (0.64) | ESR1LMNATSHRTP53CYP3A4 | |
| SCHEMBL111221 | 0.87 | LMNA (0.66) | ESR1LMNATSHRTP53CYP3A4 | |
| SCHEMBL19348924 | 0.87 | LMNA (0.66) | ESR1LMNATSHRTP53CYP3A4 | |
| SCHEMBL106401 | 0.87 | LMNA (0.66) | ESR1LMNATSHRTP53CYP3A4 | |
| SCHEMBL5373212 | 0.87 | LMNA (0.66) | ESR1LMNATSHRTP53CYP3A4 | |
| SCHEMBL5366432 | 0.87 | LMNA (0.66) | ESR1LMNATSHRTP53CYP3A4 | |
| SCHEMBL2535794 | 0.87 | LMNA (0.66) | ESR1LMNATSHRTP53CYP3A4 | |
| SCHEMBL5370832 | 0.87 | LMNA (0.66) | ESR1LMNATSHRTP53CYP3A4 |
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-4328162-A | Process for preparing 9,11-unsaturated steroidal compound from the corresponding saturated steroidal compound | EASTMAN KODAK COMPANY (US) | 1982-05-04 | — | — | US | disclosed |