Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 3/20 | 0.52 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.52 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.52 |
| ▸ | PTGIR | P43119 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | NQO2 | P16083 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL4593743 | 0.81 | CA1 (0.52) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL8755333 | 0.74 | CA1 (0.50) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL3956678 | 0.74 | HPGD (0.43) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL7302208 | 0.73 | CA1 (0.52) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL428892 | 0.69 | PRSS1 (1.00) | PRSS1PRSS2PRSS3PTGIRNQO2 | |
| SCHEMBL5168543 | 0.69 | — | — | |
| SCHEMBL1029610 | 0.69 | — | — | |
| SCHEMBL9786928 | 0.68 | CES2 (0.51) | CA1CA2MAPK1 | |
| Hydrochloric Acid SCHEMBL2570665 | 0.67 | PRSS1 (0.95) | PRSS1PRSS2PRSS3PTGIRNQO2 | |
| SCHEMBL458125 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104860997-A | 2,5-dimethyl thioterephthalic acid bridged bismolybdenum complex, and preparation method thereof and application thereof in molecular devices | UNIV JINAN | 2015-08-26 | — | — | CN | claimed |
| CN-104860997-A | 2,5-dimethyl thioterephthalic acid bridged bismolybdenum complex, and preparation method thereof and application thereof in molecular devices | UNIV JINAN | 2015-08-26 | — | — | CN | disclosed |