Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL16921547 | 1.00 | CA12 (0.38) | CA12CA1CA2CA9RAB9A | |
| SCHEMBL4675011 | 0.86 | TP53 (0.35) | CA12CA1CA2CA9RAB9A | |
| SCHEMBL4675005 | 0.86 | TP53 (0.35) | CA12CA1CA2CA9RAB9A | |
| SCHEMBL16921549 | 0.81 | CA12 (0.38) | CA12CA1CA2CA9TP53 | |
| SCHEMBL753000 | 0.81 | CA12 (0.38) | CA12CA1CA2CA9TP53 | |
| SCHEMBL16921562 | 0.80 | PTGIR (0.39) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL16921554 | 0.79 | NPSR1 (0.39) | CA12CA1CA2CA9RAB9A | |
| SCHEMBL4677540 | 0.78 | TP53 (0.43) | TP53POLBALDH1A1HPGDKDM4E | |
| SCHEMBL4677537 | 0.78 | TP53 (0.43) | TP53POLBALDH1A1HPGDKDM4E | |
| SCHEMBL4672763 | 0.77 | TP53 (0.47) | RAB9ATP53HSD17B10POLBSMN1; SMN2 |
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-1422218-B1 | ANTIVIRAL AGENT | SHIONOGI & CO (JP) | 2012-03-21 | — | — | EP | disclosed |