Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA7 | P43166 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | STS | P08842 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11506065 | 0.95 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1965326 | 0.84 | CA1 (0.73) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16351874 | 0.84 | CA1 (0.73) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10076560 | 0.82 | ALDH1A1 (0.62) | ESR1CYP1A2CYP3A4LMNASTS | |
| SCHEMBL2997359 | 0.81 | MAPT (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2721728 | 0.81 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13266961 | 0.81 | CA1 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14985549 | 0.81 | ESR1 (0.66) | ESR1CYP1A2CYP3A4LMNASTS | |
| SCHEMBL11486248 | 0.80 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1638836 | 0.80 | CA12 (0.58) | CA12CA1CA2CA7CA9 |
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-2004003561-A9 | PEPTIDE ROD AMPHIPHILES AND SELF-ASSEMBLY OF SAME | UNIV NORTHWESTERN (US) | 2004-08-12 | — | — | WO | disclosed |
| WO-2004003561-A1 | PEPTIDE ROD AMPHIPHILES AND SELF-ASSEMBLY OF SAME | NORTHWESTERN UNIVERSITY (US) | 2004-01-08 | — | — | WO | disclosed |