Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 2/20 | 0.67 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28329900 | 0.81 | ENPP2 (0.67) | ENPP2PRSS1PRSS2PRSS3ALDH1A1 | |
| SCHEMBL28041771 | 0.81 | ENPP2 (0.67) | ENPP2PRSS1PRSS2PRSS3ALDH1A1 | |
| SCHEMBL480132 | 0.81 | ENPP2 (0.67) | ENPP2PRSS1PRSS2PRSS3ALDH1A1 | |
| SCHEMBL27951222 | 0.81 | ENPP2 (0.67) | ENPP2PRSS1PRSS2PRSS3ALDH1A1 | |
| SCHEMBL7344145 | 0.80 | ENPP2 (1.00) | ENPP2PRSS1PRSS2PRSS3ALDH1A1 | |
| SCHEMBL5140 | 0.80 | ENPP2 (1.00) | ENPP2PRSS1PRSS2PRSS3ALDH1A1 | |
| SCHEMBL5665675 | 0.80 | CA1 (0.61) | ENPP2PRSS1PRSS2PRSS3ALDH1A1 | |
| SCHEMBL7344156 | 0.80 | ENPP2 (0.65) | ENPP2PRSS1PRSS2PRSS3ALDH1A1 | |
| Methyl Alcohol SCHEMBL28712606 | 0.79 | ENPP2 (0.96) | ENPP2PRSS1PRSS2PRSS3ALDH1A1 | |
| SCHEMBL12524808 | 0.79 | ENPP2 (0.74) | ENPP2PRSS1PRSS2PRSS3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1730118-A1 | SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | Transtech Pharma, Inc. (US) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005080346-A1 | SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-09-01 | — | — | WO | disclosed |