Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.53 |
| ▸ | TYR | P14679 | 1/20 | 0.53 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.51 |
| ▸ | ERN1 | O75460 | 4/20 | 0.49 |
| ▸ | PRKDC | P78527 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1236491 | 0.89 | ALDH1A1 (0.66) | ALDH1A1TRIM24TYRTRIM33TDP1 | |
| SCHEMBL1049563 | 0.88 | ALDH1A1 (0.66) | ALDH1A1TDP1KDM4ETSHRCYP1A2 | |
| SCHEMBL2199528 | 0.80 | ERN1 (0.61) | ALDH1A1TRIM24TYRTRIM33TDP1 | |
| SCHEMBL25333931 | 0.80 | ALDH1A1 (0.58) | ALDH1A1TRIM24TYRTRIM33TDP1 | |
| SCHEMBL25333119 | 0.79 | ALDH1A1 (0.53) | ALDH1A1TRIM24TYRTRIM33TDP1 | |
| SCHEMBL19563665 | 0.78 | ALDH1A1 (0.57) | ALDH1A1TRIM24TYRTRIM33TDP1 | |
| SCHEMBL8188243 | 0.78 | ALDH1A1 (0.57) | ALDH1A1TDP1KDM4ETSHRCYP1A2 | |
| SCHEMBL96291 | 0.78 | ALDH1A1 (1.00) | ALDH1A1TRIM24TYRTRIM33TDP1 | |
| SCHEMBL15054285 | 0.78 | ALDH1A1 (0.55) | ALDH1A1TDP1KDM4ETSHRCYP1A2 | |
| SCHEMBL20886497 | 0.77 | ALDH1A1 (0.53) | ALDH1A1TRIM24TYRTRIM33TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997020837-A1 | PROCESS FOR THE PREPARATION OF BENZOTHIOPHENE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-06-12 | — | — | WO | disclosed |