Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 9/20 | 0.36 |
| ▸ | CES1 | P23141 | 6/20 | 0.34 |
| ▸ | CES2 | O00748 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ARG1 | P05089 | 2/20 | 0.34 |
| ▸ | ARG2 | P78540 | 2/20 | 0.34 |
| ▸ | PPIP5K2 | O43314 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL726303 | 1.00 | MLYCD (0.36) | MLYCDFAAHCES1CES2MEN1 | |
| Trifluoroacetic Acid SCHEMBL3708678 | 1.00 | MLYCD (0.36) | MLYCDFAAHCES1CES2MEN1 | |
| Trifluoroacetic Acid SCHEMBL29024974 | 0.97 | MLYCD (0.35) | MLYCDFAAHCES1CES2MEN1 | |
| Trifluoroacetic Acid SCHEMBL6534847 | 0.95 | MLYCD (0.34) | MLYCDFAAHCES1CES2MEN1 | |
| Trifluoroacetic Acid SCHEMBL7929496 | 0.95 | MLYCD (0.34) | MLYCDFAAHCES1CES2MEN1 | |
| Trifluoroacetic Acid SCHEMBL9293783 | 0.89 | MLYCD (0.34) | MLYCDFAAHARG1ARG2PPIP5K2 | |
| Trifluoroacetic Acid SCHEMBL6534970 | 0.87 | FAAH (0.47) | FAAHCES1CES2MEN1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL1432240 | 0.85 | TDP1 (0.44) | MLYCDFAAHMEN1CYP1A2KMT2A | |
| Trifluoroacetic Acid SCHEMBL28455031 | 0.85 | PPIP5K2 (0.38) | MLYCDPPIP5K2 | |
| Trifluoroacetic Acid SCHEMBL17396033 | 0.83 | CHRM2 (0.38) | MLYCDFAAHCES1CES2MEN1 |
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-2391623-A1 | INHIBITORS OF AKT ACTIVITY | Merck Sharp & Dohme Corp. (US) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010088177-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2010-08-05 | — | — | WO | disclosed |