Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.58 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.53 |
| ▸ | BACE1 | P56817 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | FPR2 | P25090 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15740654 | 0.90 | CYP19A1 (0.67) | CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL27958859 | 0.87 | CYP19A1 (0.75) | CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL4512812 | 0.87 | CYP11B2 (0.79) | CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL5749788 | 0.86 | CYP19A1 (0.53) | CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL198917 | 0.85 | KDM4E (0.59) | CYP19A1CYP2C9CYP2C19TSHRBACE1 | |
| SCHEMBL3177161 | 0.84 | MKNK1 (0.56) | CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL4865899 | 0.84 | CYP19A1 (0.51) | CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL4870398 | 0.83 | CYP19A1 (0.54) | CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL171896 | 0.81 | CHRNB2 (0.68) | CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL30338591 | 0.81 | CHRNB2 (0.68) | CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6 |
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-1802641-B1 | BISPHOSPHONATE COMPOUNDS AND METHODS FOR BONE RESORPTION DISEASES, CANCER, BONE PAIN, IMMUNE DISORDERS, AND INFECTIOUS DISEASES | UNIV ILLINOIS (US) | 2011-08-10 | — | — | EP | disclosed |