Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TMPRSS6 | Q8IU80 | 2/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17913040 | 0.91 | CA12 (0.53) | ALDH1A1GAACA12CA9MEN1 | |
| SCHEMBL17913071 | 0.88 | CA12 (0.48) | ALDH1A1MAPTSMN1; SMN2GAACA12 | |
| SCHEMBL17913104 | 0.88 | CA12 (0.48) | ALDH1A1CA12CA9MEN1KMT2A | |
| SCHEMBL17913068 | 0.86 | PGR (0.49) | ALDH1A1MAPTSMN1; SMN2GAAALOX15 | |
| SCHEMBL17913095 | 0.76 | ALDH1A1 (0.56) | ALDH1A1MAPTTSHRSMN1; SMN2GAA | |
| SCHEMBL17913094 | 0.73 | LIMK2 (0.54) | CA12CA9TMPRSS6LIMK2ABL1 | |
| SCHEMBL17913087 | 0.72 | CA12 (0.69) | ALDH1A1MAPTGAACA12CA9 | |
| SCHEMBL17913041 | 0.67 | ALDH1A1 (0.57) | ALDH1A1MAPTSMN1; SMN2GAACA12 | |
| SCHEMBL17913100 | 0.66 | CA12 (1.00) | ALDH1A1MAPTSMN1; SMN2GAACA12 | |
| SCHEMBL5452240 | 0.66 | TMPRSS6 (0.73) | ALDH1A1SMN1; SMN2CA12CA9MEN1 |
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-2016111658-A1 | SYNTHESIS OF THIOSEMICARBAZONE DERIVATIVES COMPRISING SULPHONAMIDE GROUP WITH POTENTIAL ANTICONVULSANT ACTIVITY | IYIDOGAN AYSEGUL (TR) | 2016-07-14 | — | — | WO | claimed |