Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 7/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 7/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 7/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CDK4 | P11802 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11677917 | 0.85 | ALDH1A1 (0.59) | ALDH1A1MEN1KMT2ACHRM2CHRM4 | |
| SCHEMBL11787186 | 0.84 | LTA4H (0.59) | ALDH1A1MEN1KMT2ATSHRLTA4H | |
| SCHEMBL11791076 | 0.83 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2ACHRM2CHRM4 | |
| SCHEMBL11788007 | 0.83 | TSHR (0.60) | ALDH1A1MEN1KMT2ACHRM2CHRM4 | |
| SCHEMBL11795792 | 0.83 | CHRM2 (0.55) | ALDH1A1MEN1KMT2ACHRM2CHRM4 | |
| SCHEMBL11675725 | 0.83 | LTA4H (0.57) | ALDH1A1MEN1KMT2ACHRM2CHRM4 | |
| SCHEMBL12642701 | 0.83 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2ACHRM2CHRM4 | |
| SCHEMBL11787640 | 0.81 | ALDH1A1 (0.58) | ALDH1A1MEN1KMT2ACHRM2CHRM4 | |
| SCHEMBL11787906 | 0.80 | KDM4E (0.56) | ALDH1A1MEN1KMT2ACHRM2CHRM4 | |
| SCHEMBL11798019 | 0.80 | MEN1 (0.52) | ALDH1A1MEN1KMT2ACHRM2CHRM4 |
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-2011080562-A1 | NOVEL AZA-PEPTIDES CONTAINING 2,2-DISUBSTITUTED CYCLOBUTYL AND/OR SUBSTITUTED ALKOXY BENZYL DERIVATIVES AS ANTIVIRALS | HETERO RESEARCH FOUNDATION (IN) | 2011-07-07 | — | — | WO | disclosed |
| WO-2011080562-A1 | NOVEL AZA-PEPTIDES CONTAINING 2,2-DISUBSTITUTED CYCLOBUTYL AND/OR SUBSTITUTED ALKOXY BENZYL DERIVATIVES AS ANTIVIRALS | HETERO RESEARCH FOUNDATION (IN) | 2011-07-07 | — | — | WO | disclosed |