Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3218519 | 0.88 | TSHR (0.61) | TSHRCYP3A4MAPK1TDP1TP53 | |
| SCHEMBL11870624 | 0.86 | TSHR (0.55) | TSHRCYP3A4MAPK1TDP1TP53 | |
| SCHEMBL11861355 | 0.84 | KCNN4 (0.42) | TSHRCYP3A4MAPK1TDP1TP53 | |
| SCHEMBL4465602 | 0.83 | TSHR (0.73) | TSHRCYP3A4MAPK1TDP1TP53 | |
| SCHEMBL11355582 | 0.82 | TSHR (0.50) | TSHRCYP3A4MAPK1TDP1TP53 | |
| SCHEMBL11869739 | 0.82 | TSHR (0.65) | TSHRCYP3A4MAPK1TDP1TP53 | |
| SCHEMBL3222632 | 0.81 | TSHR (0.53) | TSHRCYP3A4MAPK1TDP1TP53 | |
| SCHEMBL11872521 | 0.80 | CYP3A4 (0.48) | TSHRCYP3A4MAPK1TDP1TP53 | |
| SCHEMBL6337202 | 0.79 | KCNN4 (0.59) | TSHRCYP3A4MAPK1TDP1TP53 | |
| SCHEMBL2865674 | 0.77 | TSHR (0.48) | TSHRCYP3A4MAPK1TDP1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1532132-A1 | NOVEL BENZODIOXOLES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004013120-A1 | NOVEL BENZODIOXOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-02-12 | — | — | WO | disclosed |
| US-3985766-A | ANTIMYCOTICS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-10-12 | — | — | US | disclosed |