Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5034908 | 0.97 | CYP3A4 (0.43) | CYP3A4CYP11B1CYP11B2KMT2ACYP1A2 | |
| SCHEMBL5034877 | 0.94 | CYP3A4 (0.44) | CYP3A4CYP11B1CYP11B2KMT2ATHRB | |
| SCHEMBL5036077 | 0.90 | CYP3A4 (0.42) | CYP3A4CYP11B1CYP11B2KMT2ACYP1A2 | |
| SCHEMBL5039076 | 0.86 | CYP3A4 (0.39) | CYP3A4CYP11B1CYP11B2KMT2ACNR1 | |
| SCHEMBL5041330 | 0.86 | CYP3A4 (0.44) | CYP3A4CYP11B1CYP11B2KMT2ACYP1A2 | |
| SCHEMBL5041385 | 0.86 | CYP3A4 (0.46) | CYP3A4CYP11B1CYP11B2KMT2ACYP1A2 | |
| SCHEMBL5035888 | 0.85 | CYP3A4 (0.45) | CYP3A4KMT2ATHRBCYP1A2CYP2C9 | |
| SCHEMBL5032567 | 0.85 | CYP3A4 (0.49) | CYP3A4CYP11B1CYP11B2KMT2ACYP1A2 | |
| SCHEMBL5035235 | 0.85 | CYP3A4 (0.45) | CYP3A4CYP11B1CYP11B2KMT2ACYP1A2 | |
| SCHEMBL5041312 | 0.85 | CYP3A4 (0.40) | CYP3A4CYP11B1CYP11B2KMT2ATHRB |
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-1694673-B1 | THIAZOLE DERIVATES | HOFFMANN LA ROCHE (CH) | 2008-01-16 | — | — | EP | claimed |