Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | YES1 | P07947 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2179974 | 0.71 | ESR1 (0.51) | ESR1ESR2BRD4CREBBPAPP | |
| SCHEMBL17818426 | 0.71 | CYP3A4 (0.45) | ESR1ESR2BRD4CREBBPCYP3A4 | |
| SCHEMBL18721922 | 0.69 | CA2 (0.43) | ESR1ESR2CA2CA5ACYP3A4 | |
| SCHEMBL8885769 | 0.69 | PTGS1 (0.44) | ESR1ESR2BRD4CREBBPCA2 | |
| SCHEMBL13139117 | 0.68 | CYP3A4 (0.42) | ESR1ESR2BRD4CREBBPCYP3A4 | |
| SCHEMBL9749477 | 0.68 | ESR1 (0.41) | ESR1ESR2BRD4CREBBPCA2 | |
| SCHEMBL31110641 | 0.66 | NFKB1 (0.43) | ESR1ESR2CA2CA5ACYP3A4 | |
| SCHEMBL31110640 | 0.66 | NFKB1 (0.43) | ESR1ESR2CA2CA5ACYP3A4 | |
| SCHEMBL5547664 | 0.65 | BRD4 (0.55) | ESR1ESR2BRD4CREBBPCYP3A4 | |
| SCHEMBL9810672 | 0.65 | MEN1 (0.44) | ESR1ESR2CA2CA5ACYP3A4 |
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-2041123-B1 | FUSED CYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL (JP) | 2012-02-01 | — | — | EP | disclosed |