Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.37 |
| ▸ | NT5E | P21589 | 2/20 | 0.37 |
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL3645802 | 0.82 | S1PR1 (0.40) | NOTUMESR2 | |
| SCHEMBL27936742 | 0.81 | TP53 (0.41) | TP53CYP11B2NOTUMGRM5HTR7 | |
| SCHEMBL16104094 | 0.70 | HDAC6 (0.61) | TP53HDAC1HDAC8HDAC6HDAC4 | |
| SCHEMBL3150963 | 0.69 | MEN1 (0.38) | TP53NOTUMESR2 | |
| SCHEMBL2320359 | 0.68 | MEN1 (0.47) | TP53CYP11B2NOTUMNT5EGRM5 | |
| SCHEMBL11593511 | 0.65 | PTGS1 (0.51) | TP53NOTUMHTR7MGAMGAA | |
| SCHEMBL198702 | 0.64 | TAAR1 (0.68) | CYP11B2NOTUMCYP17A1CYP3A4CYP11B1 | |
| SCHEMBL16877278 | 0.64 | KDM4E (0.39) | CYP11B2CYP17A1CYP3A4CYP11B1MGAM | |
| SCHEMBL24799555 | 0.64 | RPS6KB1 (0.52) | TP53NOTUMCYP3A4MGAMGAA | |
| SCHEMBL15219993 | 0.64 | NPC1 (0.47) | TP53NOTUMGRM5 |
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-2170873-A1 | ISOXAZOLE-IMIDAZOLE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-04-07 | — | — | EP | disclosed |
| WO-2009000662-A1 | ISOXAZOLE-IMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-31 | — | — | WO | disclosed |