Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.69 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.69 |
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.69 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.69 |
| ▸ | THRB | P10828 | 1/20 | 0.69 |
| ▸ | CASP1 | P29466 | 1/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.69 |
| ▸ | TYR | P14679 | 1/20 | 0.45 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL49805 | 0.83 | ALDH1A1 (1.00) | ALDH1A1HSD17B10CYP3A4ALOX15TSHR | |
| SCHEMBL8646926 | 0.81 | ADH1B (0.46) | ALDH1A1HSD17B10CYP3A4ALOX15TSHR | |
| SCHEMBL7707476 | 0.80 | ALDH1A1 (0.42) | ALDH1A1HSD17B10CYP3A4ALOX15TSHR | |
| SCHEMBL11560859 | 0.80 | ADH1B (0.49) | ALDH1A1HSD17B10CYP3A4ALOX15TSHR | |
| SCHEMBL11281185 | 0.80 | ADH1B (0.49) | ALDH1A1HSD17B10CYP3A4ALOX15TSHR | |
| SCHEMBL4901085 | 0.79 | TYR (0.52) | ALDH1A1HSD17B10CYP3A4ALOX15TSHR | |
| SCHEMBL21688334 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP3A4ALOX15TSHR | |
| SCHEMBL48404 | 0.78 | ALDH1A1 (0.78) | ALDH1A1HSD17B10CYP3A4ALOX15TSHR | |
| SCHEMBL10725182 | 0.78 | TAAR1 (0.56) | ALDH1A1HSD17B10CYP3A4ALOX15TSHR | |
| SCHEMBL9874686 | 0.77 | ALDH1A1 (0.86) | ALDH1A1HSD17B10CYP3A4ALOX15TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030096379-A1 | Method for producing tryptamine derivatives | BIOCATALYTICS, INC. | 2003-05-22 | — | — | US | disclosed |
| WO-2002079153-A1 | METHOD FOR PRODUCING TRYPTAMINE DERIVATIVES | BIOCATALYTICS, INC. (US) | 2002-10-10 | — | — | WO | disclosed |
| US-H2046-H1 | AUTOMATED ALTERNATING SOLUTION DEPOSITION OF POLYCATIONIC AND POLYANIONIC LAYERS; ULTRASMOOTH ELECTROOPTIC FILMS THAT DO NOT REQUIRE ELECTRIC FIELD POLING OR HIGH TEMPERATURE TREATMENT | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECERETARY OF THE NAVY | 2002-09-03 | — | — | US | disclosed |