Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 7/20 | 0.46 |
| ▸ | GNRHR | P30968 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | WNT3A | P56704 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | BCL2 | P10415 | 1/20 | 0.32 |
| ▸ | BECN1 | Q14457 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9913101 | 1.00 | BACE1 (0.46) | BACE1GNRHRCYP2D6KCNH2WNT3A | |
| SCHEMBL9913097 | 0.89 | BACE1 (0.43) | BACE1GNRHRCYP2D6KCNH2SIRT2 | |
| SCHEMBL7918850 | 0.89 | BACE1 (0.43) | BACE1GNRHRCYP2D6KCNH2SIRT2 | |
| SCHEMBL7918889 | 0.89 | BACE1 (0.43) | BACE1GNRHRCYP2D6KCNH2SIRT2 | |
| SCHEMBL12391065 | 0.88 | NPC1 (0.37) | BACE1GNRHRCYP2D6KCNH2SIRT2 | |
| SCHEMBL2619972 | 0.88 | GNRHR (0.35) | BACE1GNRHRWNT3ASIRT2DRD2 | |
| SCHEMBL7918182 | 0.88 | BACE1 (0.53) | BACE1CYP2D6KCNH2WNT3AIDH1 | |
| SCHEMBL7918201 | 0.88 | BACE1 (0.53) | BACE1CYP2D6KCNH2WNT3AIDH1 | |
| SCHEMBL9913099 | 0.88 | BACE1 (0.53) | BACE1CYP2D6KCNH2WNT3AIDH1 | |
| SCHEMBL9913425 | 0.82 | SIRT2 (0.34) | BACE1CYP2D6KCNH2SIRT2BCL2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010038686-A1 | NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE | エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) | 2010-04-08 | — | — | WO | disclosed |