Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 13/20 | 0.39 |
| ▸ | ESR1 | P03372 | 12/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | BCR | P11274 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3228180 | 1.00 | ESR2 (0.39) | ESR2ESR1ABL1ABCB1BCR | |
| Hydrochloric Acid SCHEMBL3232471 | 0.99 | ESR2 (0.38) | ESR2ESR1ABL1ABCB1BCR | |
| SCHEMBL3228518 | 0.82 | FDFT1 (0.54) | HSD17B1HSD17B2 | |
| SCHEMBL3227139 | 0.77 | SLC6A2 (0.40) | CYP2D6 | |
| SCHEMBL3227130 | 0.77 | SLC6A2 (0.40) | CYP2D6 | |
| SCHEMBL2418245 | 0.69 | FDFT1 (0.65) | ESR2ESR1ABL1ABCB1BCR | |
| Hydrochloric Acid SCHEMBL2426515 | 0.68 | FDFT1 (0.63) | ESR2ESR1ABL1ABCB1BCR | |
| SCHEMBL3225393 | 0.65 | CHRM2 (0.53) | CYP2D6 | |
| SCHEMBL3222952 | 0.65 | CHRM2 (0.53) | — | |
| SCHEMBL3687391 | 0.64 | ESR2 (0.43) | ESR2ESR1ABL1ABCB1BCR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010026208-A1 | 1-AZA-BICYCLO[3.3.1]NONANE OR -3-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2010-03-11 | — | — | WO | claimed |
| WO-2010026208-A1 | 1-AZA-BICYCLO[3.3.1]NONANE OR -3-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2010-03-11 | — | — | WO | disclosed |