Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | GPX4 | P36969 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | PHGDH | O43175 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31395022 | 0.82 | CYP1A2 (0.50) | CYP1A2TDP1GPX4HPGD | |
| SCHEMBL32667371 | 0.81 | — | — | |
| SCHEMBL17033931 | 0.81 | GPX4 (0.45) | TDP1GPX4HPGD | |
| SCHEMBL19890770 | 0.79 | ALDH1A1 (0.44) | TDP1GPX4HPGDHTT | |
| SCHEMBL16127647 | 0.77 | TDP1 (0.45) | CYP1A2TDP1HTR1AMGLLHTT | |
| SCHEMBL16075262 | 0.77 | GPX4 (0.54) | GPX4MGLL | |
| SCHEMBL28664162 | 0.77 | POLB (0.64) | GPX4POLB | |
| SCHEMBL2844608 | 0.76 | CYP1A2 (0.54) | CYP1A2TDP1HTR1AHPGDALOX15 | |
| SCHEMBL9056224 | 0.76 | SMN1; SMN2 (0.50) | GPX4HTTLMNA | |
| SCHEMBL16197356 | 0.76 | GPX4 (0.45) | GPX4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970163-B1 | 5-THIAZOLECARBOXAMIDE DERVATIVES AND THEIR USE AS BTK INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2018-02-28 | — | — | EP | disclosed |