Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | TACR3 | P29371 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8303022 | 0.92 | ALDH1A1 (0.46) | CYP3A4ALDH1A1KDM4EMAPTPOLB | |
| SCHEMBL8302370 | 0.88 | CYP3A4 (0.48) | TSHRCYP3A4ALDH1A1CYP1A2MAPT | |
| SCHEMBL8306394 | 0.85 | TACR3 (0.40) | GPR88TSHRCYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL8307199 | 0.83 | TSHR (0.43) | GPR88TSHRCYP3A4ALDH1A1KDM4E | |
| SCHEMBL8302507 | 0.77 | CNR2 (0.44) | GPR88TSHRCYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL18653054 | 0.76 | CYP2D6 (0.51) | GPR88TSHRCYP3A4ALDH1A1MAPT | |
| SCHEMBL12682989 | 0.76 | CYP2D6 (0.51) | GPR88TSHRCYP3A4ALDH1A1MAPT | |
| SCHEMBL8303024 | 0.76 | LTB4R (0.48) | TSHRALDH1A1CYP1A2KDM4EMAPT | |
| SCHEMBL19658438 | 0.72 | LMNA (0.46) | GPR88CYP3A4POLBCYP2C9MAPK1 | |
| SCHEMBL12880512 | 0.72 | LMNA (0.46) | GPR88CYP3A4POLBCYP2C9MAPK1 |
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 |