Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD4 | P01730 | 6/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NEK2 | P51955 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23581284 | 0.74 | — | — | |
| SCHEMBL1771068 | 0.74 | — | — | |
| SCHEMBL8654150 | 0.74 | NEK2 (0.35) | LMNAESR1ESR2TSHRCYP2C19 | |
| SCHEMBL10142870 | 0.74 | TSHR (0.36) | LMNAESR1ESR2TSHRCYP2C19 | |
| SCHEMBL4145018 | 0.69 | LMNA (0.35) | LMNAESR1ESR2TSHRCYP2C19 | |
| SCHEMBL17629418 | 0.67 | NEK2 (0.35) | LMNAESR1ESR2NEK2HDAC1 | |
| SCHEMBL1266336 | 0.67 | ESR1 (0.49) | ESR1ESR2TSHRCYP2C19ALDH1A1 | |
| SCHEMBL20840303 | 0.65 | LMNA (0.50) | LMNATSHRCYP2C19NEK2ALDH1A1 | |
| SCHEMBL4778694 | 0.65 | LMNA (0.50) | LMNATSHRCYP2C19NEK2ALDH1A1 | |
| SCHEMBL737197 | 0.65 | — | — |
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 |