Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA5A | P35218 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.34 |
| ▸ | MMP1 | P03956 | 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL28944649 | 0.83 | ESR1 (0.42) | ALDH1A1TDP1PTPN1CA1CA2 | |
| Biphenyl SCHEMBL1050411 | 0.81 | PTPN1 (0.58) | ALDH1A1PTPN1TSHRSMN1; SMN2CA1 | |
| Trifluoromethanesulfonic Acid SCHEMBL8499489 | 0.80 | ALOX15 (0.56) | ALDH1A1TDP1SMN1; SMN2CA1CA2 | |
| Trifluoromethanesulfonic Acid SCHEMBL789189 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TDP1PTPN1TSHRSMN1; SMN2 | |
| Trifluoromethanesulfonic Acid SCHEMBL30552135 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TDP1PTPN1TSHRSMN1; SMN2 | |
| Biphenyl SCHEMBL2192409 | 0.79 | PTPN1 (0.56) | ALDH1A1PTPN1TSHRSMN1; SMN2CA1 | |
| Trifluoromethanesulfonic Acid SCHEMBL3345470 | 0.79 | CA1 (0.52) | ALDH1A1TDP1PTPN1TSHRSMN1; SMN2 | |
| Trifluoromethanesulfonic Acid SCHEMBL29657724 | 0.79 | CA1 (0.52) | ALDH1A1TDP1PTPN1TSHRSMN1; SMN2 | |
| Biphenyl SCHEMBL304392 | 0.79 | PTPN1 (0.56) | ALDH1A1PTPN1TSHRSMN1; SMN2CA1 | |
| Trifluoromethanesulfonic Acid SCHEMBL9470710 | 0.79 | CA1 (0.52) | ALDH1A1TDP1PTPN1TSHRSMN1; 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 |
|---|---|---|---|---|---|---|---|
| CN-1934082-A | Organic compounds | SPEEDEL EXPERIMENTA AG (CH) | 2007-03-21 | — | — | CN | disclosed |