Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 12/20 | 1.00 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.51 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | TNKS | O95271 | 1/20 | 0.48 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | BCL2 | P10415 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3813366 | 0.92 | CYP19A1 (1.00) | CYP19A1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL3813556 | 0.91 | CYP19A1 (1.00) | CYP19A1ESR1MEN1KMT2AALDH1A1 | |
| SCHEMBL3811424 | 0.87 | CYP19A1 (1.00) | CYP19A1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL3820682 | 0.86 | CYP19A1 (1.00) | CYP19A1ESR1MEN1KMT2AALDH1A1 | |
| SCHEMBL3821126 | 0.86 | CYP19A1 (1.00) | CYP19A1NPC1ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL3829440 | 0.86 | CYP19A1 (1.00) | CYP19A1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL3817858 | 0.80 | CYP19A1 (0.79) | CYP19A1ESR1ALDH1A1KDM4E | |
| SCHEMBL3816936 | 0.79 | CYP19A1 (0.89) | CYP19A1NPC1MEN1KMT2AALDH1A1 | |
| SCHEMBL3820372 | 0.78 | CYP19A1 (0.85) | CYP19A1ESR1MEN1KMT2AALDH1A1 | |
| SCHEMBL2946452 | 0.78 | ALDH1A1 (0.71) | CYP19A1NPC1ESR1NOD2MEN1 |
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-8476313-B2 | Heteroaryl-containing isoflavones as aromatase inhibitors | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2013-07-02 | — | — | US | disclosed |