Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MTTP | P55157 | 3/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | LDHB | P07195 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL8302401 | 0.88 | GPR88 (0.40) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL8303022 | 0.86 | ALDH1A1 (0.46) | CYP3A4GAAPOLBMAPTHTT | |
| SCHEMBL8307199 | 0.75 | TSHR (0.43) | CYP3A4CYP2C9TSHRSMN1; SMN2MAPK1 | |
| SCHEMBL8306394 | 0.75 | TACR3 (0.40) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL8302507 | 0.70 | CNR2 (0.44) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL13683341 | 0.69 | ALDH1A1 (0.46) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL8305547 | 0.69 | CNR2 (0.45) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL8047986 | 0.69 | NR4A1 (0.68) | SMN1; SMN2NR4A1NR4A2NR4A3MAPT | |
| SCHEMBL18653054 | 0.68 | CYP2D6 (0.51) | CYP3A4CYP2C9CYP2C19TSHRCYP2D6 | |
| SCHEMBL12682989 | 0.68 | CYP2D6 (0.51) | CYP3A4CYP2C9CYP2C19TSHRCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004085661-A2 | PROCESS TO CHIRAL BETA-AMINO ACID DERIVATIVES | MERCK & CO., INC (US) | 2004-10-07 | — | — | WO | disclosed |