Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.39 |
| ▸ | CES2 | O00748 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5967506 | 0.94 | CES1 (0.43) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL25381294 | 0.92 | CES2 (0.42) | CES1CES2ALDH1A1LMNAMEN1 | |
| SCHEMBL19329327 | 0.89 | CES2 (0.43) | CES1CES2ALDH1A1LMNAMEN1 | |
| SCHEMBL7992821 | 0.88 | CES2 (0.37) | CES1CES2ALDH1A1TSHR | |
| SCHEMBL28179469 | 0.86 | CES2 (0.46) | CES1CES2ALDH1A1LMNAMEN1 | |
| SCHEMBL10742718 | 0.83 | CES1 (0.39) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL28180348 | 0.83 | CES2 (0.48) | CES1CES2ALDH1A1LMNAMEN1 | |
| SCHEMBL7437356 | 0.79 | CES1 (0.36) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL11573934 | 0.77 | CA1 (0.35) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL4621590 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3426398-A1 | BRANCHED-CHAIN AMINES IN ELECTROCHEMILUMINESCENCE DETECTION | Roche Diagnostics GmbH (DE) | 2019-01-16 | — | — | EP | disclosed |
| WO-2017153574-A1 | BRANCHED-CHAIN AMINES IN ELECTROCHEMILUMINESCENCE DETECTION | ROCHE DIAGNOSTICS GMBH (DE) | 2017-09-14 | — | — | WO | disclosed |
| WO-1998052916-A1 | NOVEL LEUKOTRIENE-B DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-11-26 | — | — | WO | disclosed |