Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | MMP1 | P03956 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | MMP13 | P45452 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.48 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.47 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.47 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.47 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17205811 | 1.00 | ALDH1A1 (0.63) | ALDH1A1TSHRCYP3A4CA1CA2 | |
| SCHEMBL17206041 | 1.00 | ALDH1A1 (0.63) | ALDH1A1TSHRCYP3A4CA1CA2 | |
| SCHEMBL22100990 | 0.86 | TSHR (0.71) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL17205724 | 0.85 | ALDH1A1 (0.71) | ALDH1A1TSHRCYP3A4CA1CA2 | |
| SCHEMBL13812157 | 0.85 | ALDH1A1 (0.71) | ALDH1A1TSHRCYP3A4CA1CA2 | |
| SCHEMBL24477558 | 0.83 | ALDH1A1 (0.63) | ALDH1A1TSHRCYP3A4CA1CA2 | |
| SCHEMBL16013846 | 0.83 | MAPK1 (0.63) | ALDH1A1TSHRCYP3A4CA1CA2 | |
| SCHEMBL2372546 | 0.82 | ALDH1A1 (0.83) | ALDH1A1TSHRCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL14822954 | 0.81 | ALDH1A1 (0.66) | ALDH1A1TSHRCYP3A4CA1CA2 | |
| SCHEMBL1726078 | 0.81 | ALDH1A1 (0.65) | ALDH1A1TSHRCYP3A4CA1CA2 |
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 |