Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10875310 | 1.00 | CES1 (0.41) | CES1CES2ATMALDH1A1MAPT | |
| SCHEMBL10872887 | 0.83 | TSHR (0.44) | ATMALDH1A1MAPTKMT2APOLB | |
| SCHEMBL10872407 | 0.82 | NOS1 (0.56) | ATMMAPTKMT2APOLBMEN1 | |
| SCHEMBL10873080 | 0.81 | GAA (0.43) | CES1CES2ALDH1A1MAPTKMT2A | |
| SCHEMBL10872615 | 0.81 | L3MBTL1 (0.47) | ALDH1A1MAPTKMT2APOLBSMN1; SMN2 | |
| SCHEMBL10873083 | 0.81 | GAA (0.43) | CES1CES2ALDH1A1MAPTKMT2A | |
| SCHEMBL10872610 | 0.81 | L3MBTL1 (0.47) | ALDH1A1MAPTKMT2APOLBSMN1; SMN2 | |
| SCHEMBL10873229 | 0.73 | TSHR (0.39) | ALDH1A1MAPTKMT2APOLBMEN1 | |
| SCHEMBL10873225 | 0.73 | TSHR (0.39) | ALDH1A1MAPTKMT2APOLBMEN1 | |
| SCHEMBL16880622 | 0.73 | P2RX4 (0.52) | ATMALDH1A1MAPTKMT2APOLB |
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-0194484-A2 | Synthesis of 1-(2-amino-2-phenylethyl)-2-piperidinones | PENNWALT CORPORATION (US) | 1986-09-17 | — | — | EP | disclosed |