Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 7/20 | 0.78 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.78 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.76 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.76 |
| ▸ | LMNA | P02545 | 2/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.74 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.74 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.74 |
| ▸ | TSHR | P16473 | 1/20 | 0.74 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.74 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.73 |
| ▸ | MEN1 | O00255 | 1/20 | 0.73 |
| ▸ | PTGES | O14684 | 1/20 | 0.73 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.73 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.73 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.73 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL5801150 | 0.91 | AKR1C3 (0.87) | AKR1C3AKR1C2AKR1C4AKR1C1LMNA | |
| SCHEMBL18271385 | 0.90 | AKR1C3 (0.82) | AKR1C3AKR1C2AKR1C4AKR1C1LMNA | |
| SCHEMBL24969415 | 0.90 | AKR1C3 (0.67) | AKR1C3AKR1C2AKR1C4AKR1C1LMNA | |
| SCHEMBL19861551 | 0.89 | AKR1C3 (0.74) | AKR1C3AKR1C2AKR1C4AKR1C1LMNA | |
| SCHEMBL8645594 | 0.88 | AKR1C3 (1.00) | AKR1C3AKR1C2AKR1C4AKR1C1LMNA | |
| SCHEMBL5646082 | 0.88 | AKR1C3 (0.76) | AKR1C3AKR1C2AKR1C4AKR1C1LMNA | |
| SCHEMBL5646126 | 0.87 | LMNA (0.76) | AKR1C3AKR1C2AKR1C4AKR1C1LMNA | |
| SCHEMBL14886867 | 0.87 | AKR1C3 (1.00) | AKR1C3AKR1C2AKR1C4AKR1C1LMNA | |
| SCHEMBL14351102 | 0.87 | AKR1C3 (0.83) | AKR1C3AKR1C2AKR1C4AKR1C1LMNA | |
| SCHEMBL5645861 | 0.86 | AKR1C3 (0.76) | AKR1C3AKR1C2AKR1C4AKR1C1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0746544-B1 | NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS | MERRELL PHARMA INC (US) | 1998-09-09 | — | — | EP | disclosed |