Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.42 |
| ▸ | QPCT | Q16769 | 1/20 | 0.42 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.42 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1733332 | 0.85 | CYP2C19 (0.50) | TDP1CYP2C19CA12CA1CA2 | |
| SCHEMBL28125757 | 0.81 | CYP19A1 (0.46) | CYP2C19CA12CA1CA2CA9 | |
| SCHEMBL1234635 | 0.81 | CYP2C19 (0.44) | CYP2C19CA12CA1CA2CA9 | |
| SCHEMBL28129581 | 0.79 | CA12 (0.47) | CYP2C19CA12CA1CA2CA9 | |
| SCHEMBL13515393 | 0.77 | CYP2C19 (0.44) | CYP2C19CA12CA1CA2CA9 | |
| SCHEMBL19160331 | 0.77 | TP53 (0.50) | CYP2C19CA12CA1CA2CA9 | |
| SCHEMBL1680504 | 0.77 | LOXL2 (0.50) | CYP2C19CA12CA1CA2CA9 | |
| SCHEMBL510675 | 0.75 | CYP2C19 (0.42) | TDP1CYP2C19CA12CA1CA2 | |
| SCHEMBL10444030 | 0.75 | CYP2C19 (0.51) | CYP2C19CA12CA1CA2CA9 | |
| SCHEMBL9435256 | 0.74 | CYP2C19 (0.47) | CYP2C19CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102863373-B | Method for synthesizing 5-benzylazaspiro[2,4]heptane | SUZHOU KANGRUN PHARMACEUTICAL CO LTD | 2014-03-12 | — | — | CN | disclosed |
| CN-102863373-A | Method for synthesizing 5-benzylazaspiro[2,4]heptane | SUZHOU KANGRUN PHARMACEUTICAL CO LTD | 2013-01-09 | — | — | CN | disclosed |