Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PLEC | Q15149 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23887401 | 0.82 | MEN1 (0.36) | ERN1CYP3A4TSHRTDP1CA12 | |
| SCHEMBL23887068 | 0.82 | ERN1 (0.37) | ERN1CYP3A4TSHRTDP1CA1 | |
| SCHEMBL3658549 | 0.81 | ERN1 (0.52) | ERN1CYP3A4TSHRTDP1CA12 | |
| SCHEMBL23887333 | 0.78 | CYP2C9 (0.39) | ERN1CYP3A4TSHRTDP1MEN1 | |
| SCHEMBL4136744 | 0.76 | CYP3A4 (0.54) | ERN1CYP3A4TSHRTDP1CA12 | |
| SCHEMBL27919070 | 0.76 | CYP3A4 (0.54) | ERN1CYP3A4TSHRTDP1CA12 | |
| SCHEMBL26620876 | 0.74 | ERN1 (0.48) | ERN1CYP3A4TSHRCA12CA1 | |
| SCHEMBL11613709 | 0.74 | CYP3A4 (0.56) | ERN1CYP3A4TSHRTDP1CA12 | |
| SCHEMBL67463 | 0.73 | CYP3A4 (0.62) | ERN1CYP3A4TSHRTDP1CA12 | |
| SCHEMBL28861293 | 0.73 | HSP90AA1 (0.39) | ERN1TDP1CA12CA1CA2 |
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-2004060376-A1 | THE R-ISOMER OF BETA AMINO ACID COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES | PHARMACIA CORPRATION (US) | 2004-07-22 | — | — | WO | disclosed |