Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 2/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16502465 | 0.86 | SLC22A12 (0.46) | CA1CA2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16503580 | 0.82 | XDH (0.38) | CYP1A2CYP2C9CYP2C19XDHSLC22A12 | |
| SCHEMBL7913890 | 0.82 | KDM4E (0.38) | CA1CA2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16502466 | 0.79 | KIF11 (0.43) | CA1CA2CYP1A2XDHF10 | |
| SCHEMBL7920129 | 0.79 | TNF (0.45) | CA1CA2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7916817 | 0.78 | AKR1C3 (0.41) | CYP1A2CYP2C9CYP2C19KDM4EMAPT | |
| SCHEMBL7918345 | 0.78 | CYP1A2 (0.40) | CYP1A2CYP2C19KDM4EKMT2A | |
| SCHEMBL7915993 | 0.77 | SLC9A1 (0.48) | CYP2C9CYP2C19 | |
| SCHEMBL28203557 | 0.76 | CA1 (0.60) | CA1CA2XDHMCL1ESR2 | |
| SCHEMBL19939349 | 0.75 | XDH (0.42) | CA1CA2CYP1A2CYP2C9CYP2C19 |
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-2010090304-A1 | ACYLGUANIDINE DERIVATIVE | アステラス製薬株式会社 (JP) | 2010-08-12 | — | — | WO | disclosed |