Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.43 |
| ▸ | CES1 | P23141 | 4/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.40 |
| ▸ | PPARG | P37231 | 6/20 | 0.40 |
| ▸ | PPARD | Q03181 | 6/20 | 0.40 |
| ▸ | PPARA | Q07869 | 6/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TLR2 | O60603 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | FABP4 | P15090 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28179469 | 0.97 | CES2 (0.46) | CES2CES1AKR1B1LMNAMEN1 | |
| SCHEMBL28180348 | 0.94 | CES2 (0.48) | CES2CES1LMNAMEN1KMT2A | |
| SCHEMBL5967506 | 0.94 | CES1 (0.43) | CES2CES1AKR1B1LMNAMEN1 | |
| SCHEMBL25381294 | 0.92 | CES2 (0.42) | CES2CES1AKR1B1LMNAMEN1 | |
| SCHEMBL8708258 | 0.89 | CES1 (0.39) | CES2CES1AKR1B1LMNAMEN1 | |
| SCHEMBL8901816 | 0.86 | CES2 (0.42) | CES2CES1AKR1B1LMNAMEN1 | |
| SCHEMBL9713107 | 0.84 | CES2 (0.44) | CES2CES1LMNAMEN1KMT2A | |
| SCHEMBL10742718 | 0.83 | CES1 (0.39) | CES2CES1AKR1B1LMNAMEN1 | |
| SCHEMBL7440935 | 0.82 | CES2 (0.39) | CES2CES1AKR1B1LMNAMEN1 | |
| SCHEMBL7438751 | 0.80 | CES2 (0.41) | CES2CES1LMNAMEN1KMT2A |
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-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 |