Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PCTP | Q9UKL6 | 1/20 | 0.32 |
| ▸ | STARD10 | Q9Y365 | 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 | |
|---|---|---|---|---|
| SCHEMBL5034877 | 0.93 | CYP3A4 (0.44) | CYP3A4CYP11B1CYP11B2KMT2ACYP1A2 | |
| SCHEMBL5034908 | 0.91 | CYP3A4 (0.43) | CYP3A4CYP11B1CYP11B2KMT2ACYP1A2 | |
| SCHEMBL5035235 | 0.91 | CYP3A4 (0.45) | CYP3A4CYP11B1CYP11B2KMT2ACYP1A2 | |
| SCHEMBL5032571 | 0.91 | KDM4E (0.42) | CYP11B1HRH4KMT2AMAPTKDM4E | |
| SCHEMBL5032562 | 0.91 | CRHBP (0.36) | CYP3A4CYP11B1CYP11B2HRH4KMT2A | |
| SCHEMBL5041488 | 0.90 | CYP3A4 (0.42) | CYP3A4CYP11B1CYP11B2KMT2ACYP1A2 | |
| SCHEMBL5039076 | 0.89 | CYP3A4 (0.39) | CYP3A4CYP11B1CYP11B2KMT2AKDM4E | |
| SCHEMBL5041330 | 0.88 | CYP3A4 (0.44) | CYP3A4CYP11B1CYP11B2KMT2ACYP1A2 | |
| SCHEMBL5032567 | 0.88 | CYP3A4 (0.49) | CYP3A4CYP11B1CYP11B2KMT2ACYP1A2 | |
| SCHEMBL5041312 | 0.87 | CYP3A4 (0.40) | CYP3A4CYP11B1CYP11B2KMT2ACYP1A2 |
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 |