Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 5/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.47 |
| ▸ | IAPP | P10997 | 2/20 | 0.45 |
| ▸ | AR | P10275 | 3/20 | 0.45 |
| ▸ | APP | P05067 | 7/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6056797 | 1.00 | BACE1 (0.48) | BACE1ESR1ESR2IAPPAR | |
| SCHEMBL9682413 | 0.86 | IAPP (0.59) | IAPPAPPALDH1A1CYP3A4RECQL | |
| SCHEMBL8847575 | 0.86 | IAPP (0.59) | IAPPAPPALDH1A1CYP3A4RECQL | |
| SCHEMBL4796651 | 0.84 | TUBB1 (0.41) | IAPPAPPALDH1A1PDE5A | |
| SCHEMBL8756794 | 0.83 | BACE1 (0.44) | BACE1ESR1ESR2ARAPP | |
| SCHEMBL8852873 | 0.82 | BACE1 (0.53) | BACE1ESR1ESR2IAPPAR | |
| SCHEMBL3614885 | 0.82 | APP (0.46) | IAPPAPPALDH1A1CYP3A4RECQL | |
| SCHEMBL38665429 | 0.82 | IAPP (0.44) | IAPPAPPALDH1A1CYP3A4RECQL | |
| SCHEMBL3614886 | 0.82 | APP (0.46) | IAPPAPPALDH1A1CYP3A4RECQL | |
| SCHEMBL9681197 | 0.81 | APP (0.59) | IAPPAPPALDH1A1CYP3A4RECQL |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453913-A4 | NOVEL SUBSTITUTED ALKANE COMPOUNDS AND USES THEREOF | ANTEX PHARMA INC (US) | 2006-04-05 | — | — | EP | disclosed |
| EP-1453913-A2 | NOVEL SUBSTITUTED ALKANE COMPOUNDS AND USES THEREOF | Antex Pharma, Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003062443-A2 | NOVEL SUBSTITUTED ALKANE COMPOUNDS AND USES THEREOF | ANTEX PHARMA, INC. (US) | 2003-07-31 | — | — | WO | disclosed |