Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | P2RX3 | P56373 | 17/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL7311055 | 0.69 | TNKS (0.32) | — | |
| SCHEMBL7309052 | 0.69 | THRB (0.43) | CA12CA1CA2CA9P2RX3 | |
| SCHEMBL9045115 | 0.69 | PKM (0.43) | LMNATSHRRAB9A | |
| SCHEMBL13621824 | 0.68 | P2RX3 (0.47) | CA12CA1CA2CA9P2RX3 | |
| SCHEMBL8858072 | 0.66 | CA12 (0.42) | CA12CA1CA2CA9P2RX3 | |
| SCHEMBL13415301 | 0.66 | L3MBTL1 (0.69) | CA12CA1CA2CA9PLK1 | |
| SCHEMBL7387106 | 0.65 | CA12 (0.44) | CA12CA1CA2CA9P2RX3 | |
| SCHEMBL7068870 | 0.65 | THRB (0.47) | CA12CA1CA2CA9P2RX3 | |
| SCHEMBL8351968 | 0.65 | MAPT (0.37) | P2RX3TSHRRAB9A | |
| SCHEMBL7457619 | 0.63 | PLK1 (0.43) | P2RX3PLK1LMNATSHRNFKB1 |
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-0727425-A1 | Adhesion receptor antagonists | MERCK PATENT GmbH (DE) | 1996-08-21 | — | — | EP | disclosed |