Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7176980 | 0.89 | ESR1 (0.61) | ALDH1A1ALOX15MAPK1ESR1ESR2 | |
| SCHEMBL8952189 | 0.81 | ESR1 (0.78) | ALOX15ESR1ESR2MAPTKIF11 | |
| SCHEMBL6925377 | 0.81 | ESR1 (0.52) | ALDH1A1ESR1ESR2MAPTKDM4E | |
| SCHEMBL24800705 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MAPK1ESR1ESR2MAPT | |
| SCHEMBL22337433 | 0.76 | ESR1 (0.42) | ALDH1A1ALOX15MAPK1ESR1ESR2 | |
| SCHEMBL31409206 | 0.75 | ALDH1A1 (0.68) | ALDH1A1ALOX15MAPK1MAPTHTR2A | |
| SCHEMBL28413968 | 0.75 | ESR1 (0.45) | ALDH1A1ESR1ESR2MAPTKDM4E | |
| 4-Bromoaniline SCHEMBL45481 | 0.74 | — | — | |
| SCHEMBL28409924 | 0.73 | APP (0.45) | ALDH1A1ESR1ESR2MAPTKDM4E | |
| SCHEMBL4509253 | 0.71 | HTR2A (0.39) | ALDH1A1ALOX15MAPK1ESR1ESR2 |
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-5344982-A | Adhesives, composites, films, matrices; solvent resistance, modulus, high glass transition temperature | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) | 1994-09-06 | — | — | US | disclosed |