Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL123279 | 0.89 | TSHR (0.47) | CA1CA2TDP1CA12CA7 | |
| SCHEMBL4493359 | 0.82 | MAPT (0.54) | CA1CA2TDP1CA12CA7 | |
| SCHEMBL28899998 | 0.80 | TPMT (0.42) | TPMTCA1CA2PTPN2PTPN1 | |
| SCHEMBL21628314 | 0.80 | TSHR (0.55) | TPMTCA1CA2TDP1CA12 | |
| Butane SCHEMBL9255844 | 0.80 | TSHR (0.47) | CA1CA2TDP1CA12CA7 | |
| SCHEMBL776223 | 0.80 | TDP1 (0.61) | TDP1ALDH1A1 | |
| SCHEMBL8030701 | 0.80 | CA12 (0.61) | CA1CA2TDP1CA12CA7 | |
| SCHEMBL5706615 | 0.78 | TSHR (0.52) | TPMTCA1CA2TDP1CA12 | |
| SCHEMBL6444130 | 0.78 | ALDH1A1 (0.52) | CA1CA2GSK3BALDH1A1TSHR | |
| SCHEMBL777113 | 0.78 | RAB9A (0.50) | CA1CA2PTPN1TRPV1 |
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-2012069856-A1 | ANTIMALARIAL COMPOUNDS | LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) | 2012-05-31 | — | — | WO | disclosed |