Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 4/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PYGL | P06737 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL28220875 | 0.84 | PYGL (0.45) | ITGB1ITGA4PYGLPDE5ACA1 | |
| SCHEMBL17433748 | 0.79 | KDR (0.44) | CDK2LNPEPKDR | |
| SCHEMBL28860347 | 0.79 | KDR (0.44) | CDK2LNPEPKDR | |
| SCHEMBL17486360 | 0.75 | KDR (0.44) | CDK2LNPEPKDRERAP2ERAP1 | |
| SCHEMBL7648431 | 0.75 | ELANE (0.59) | ITGB1ITGA4PYGLITGB7MEN1 | |
| SCHEMBL10440866 | 0.73 | TSHR (0.61) | LMNAESR1TSHRMAPK1SMN1; SMN2 | |
| SCHEMBL27593650 | 0.73 | PTPN1 (0.58) | LMNAESR1CYP1A2CYP2D6TSHR | |
| SCHEMBL27593647 | 0.72 | TSHR (0.59) | LMNAESR1CYP1A2CYP2D6TSHR | |
| SCHEMBL2252894 | 0.71 | FOLH1 (0.56) | ITGB1ITGA4LMNAESR1CYP1A2 | |
| SCHEMBL2252892 | 0.71 | FOLH1 (0.56) | ITGB1ITGA4LMNAESR1CYP1A2 |
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-2975023-A1 | GUANIDINOBENZOIC ACID ESTER COMPOUND | Astellas Pharma Inc. (JP) | 2016-01-20 | — | — | EP | disclosed |