Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | KAT2B | Q92831 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4609725 | 0.87 | TSHR (0.39) | TSHRCYP3A4ALDH1A1RECQLL3MBTL1 | |
| SCHEMBL3686894 | 0.74 | TSHR (0.42) | TSHRCYP3A4ALDH1A1ACHEL3MBTL1 | |
| SCHEMBL15063722 | 0.73 | HTT (0.39) | TSHRCYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL10343079 | 0.70 | MAOB (0.56) | TSHRCYP3A4ALDH1A1RECQLACHE | |
| SCHEMBL15063840 | 0.70 | PDK1 (0.43) | TSHRCYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL171914 | 0.67 | TSHR (0.72) | TSHRCYP3A4ALDH1A1RECQLACHE | |
| SCHEMBL29613904 | 0.67 | TSHR (0.72) | TSHRCYP3A4ALDH1A1RECQLACHE | |
| SCHEMBL7088682 | 0.66 | TSHR (0.64) | TSHRCYP3A4ALDH1A1ACHEKAT2B | |
| SCHEMBL7193090 | 0.66 | TSHR (0.64) | TSHRCYP3A4ALDH1A1ACHEKAT2B | |
| SCHEMBL197716 | 0.64 | ALDH1A1 (0.52) | CYP3A4ALDH1A1RECQLACHECYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2187748-A2 | FUNGICIDAL COMPOUNDS AND MIXTURES | E. I. du Pont de Nemours and Company (US) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009055514-A2 | FUNGICIDAL MIXTURES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-04-30 | — | — | WO | disclosed |