Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.43 |
| ▸ | MMP2 | P08253 | 2/20 | 0.42 |
| ▸ | MMP9 | P14780 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | MMP1 | P03956 | 2/20 | 0.41 |
| ▸ | MMP13 | P45452 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 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 | |
|---|---|---|---|---|
| SCHEMBL4727639 | 0.89 | CA2 (0.45) | CA2CA12CA9GAAALDH1A1 | |
| SCHEMBL15899120 | 0.86 | MCHR1 (0.48) | CA2CA12CA9GAAALDH1A1 | |
| SCHEMBL5799549 | 0.86 | MCHR1 (0.48) | CA2CA12CA9GAAALDH1A1 | |
| SCHEMBL7584627 | 0.85 | SMN1; SMN2 (0.44) | CA2CA12CA9GAAALDH1A1 | |
| SCHEMBL8778760 | 0.85 | GAA (0.46) | CA2CA12CA9GAAALDH1A1 | |
| SCHEMBL8473006 | 0.84 | CA2 (0.44) | CA2CA12CA9GAAALDH1A1 | |
| SCHEMBL6299378 | 0.84 | GAA (0.42) | CA2CA12CA9GAAALDH1A1 | |
| SCHEMBL3917298 | 0.83 | SMN1; SMN2 (0.50) | ALDH1A1MMP2MMP9MMP1MMP13 | |
| SCHEMBL9836260 | 0.81 | ALDH1A1 (0.48) | CA2CA12CA9GAAALDH1A1 | |
| SCHEMBL18359069 | 0.81 | MMP1 (0.57) | CA2CA12CA9GAAALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008024826-A2 | RADIOHALOTHYMIDINES AND METHODS OF THEIR SYNTHESIS AND USE IN PET IMAGING OF CANCERS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2008-02-28 | — | — | WO | disclosed |
| WO-1995009844-A1 | RAPID SYNTHESIS AND USE OF 18F-FLUOROMISONIDAZOLE AND ANALOGS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1995-04-13 | — | — | WO | disclosed |