Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | APEX1 | P27695 | 1/20 | 0.55 |
| ▸ | CASP6 | P55212 | 1/20 | 0.55 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.51 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.51 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.51 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11367014 | 0.93 | CYP3A4 (0.68) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL11037999 | 0.93 | CYP3A4 (0.68) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL5488348 | 0.93 | CYP3A4 (0.68) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL29856171 | 0.93 | CYP3A4 (0.68) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL11796394 | 0.93 | CYP3A4 (0.68) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL12808366 | 0.86 | CYP3A4 (0.51) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL13658593 | 0.86 | CYP3A4 (0.56) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL14094935 | 0.83 | CYP3A4 (0.55) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL14094934 | 0.83 | CYP3A4 (0.55) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL11117743 | 0.83 | CYP3A4 (0.72) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-8729071-B2 | Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use | MERCK SHARP & DOHME CORP. (US) | 2014-05-20 | — | — | US | disclosed |
| EP-1354005-B1 | AZO DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE DYEING OR PRINTING OF HYDROPHOBIC FIBRE MATERIALS | HUNTSMAN ADV MAT SWITZERLAND (CH) | 2011-02-23 | — | — | EP | disclosed |