Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.51 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.51 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.51 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.51 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.51 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9833475 | 0.87 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL9833732 | 0.84 | ALDH1A1 (0.68) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL2372546 | 0.83 | ALDH1A1 (0.83) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL10405779 | 0.83 | PSEN1 (0.68) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL9832886 | 0.83 | ALDH1A1 (0.71) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL30822637 | 0.83 | PSEN1 (0.68) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL10375728 | 0.81 | ALDH1A1 (0.80) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL13297951 | 0.80 | ALDH1A1 (0.90) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL12819436 | 0.80 | ALDH1A1 (0.96) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL6514053 | 0.79 | ALDH1A1 (0.71) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5831099-A | Compounds of 1,5-disubstituted-3,7 diaza bicyclo 3.3.0! octanes and products containing the same | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1998-11-03 | — | — | US | disclosed |