Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | AGXT | P21549 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 6/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25588073 | 0.80 | IDO1 (0.50) | IDO1AGXTKDM4ESMN1; SMN2GAA | |
| SCHEMBL19157551 | 0.78 | IDO1 (0.48) | IDO1AGXTKDM4ESMN1; SMN2GAA | |
| SCHEMBL2095744 | 0.78 | SLC6A4 (0.49) | IDO1AGXTKDM4ESMN1; SMN2GAA | |
| SCHEMBL15821526 | 0.78 | KDM4E (0.52) | IDO1AGXTKDM4ESMN1; SMN2GAA | |
| SCHEMBL2095740 | 0.78 | KDM4E (0.52) | IDO1AGXTKDM4ESMN1; SMN2GAA | |
| SCHEMBL1757600 | 0.78 | IDO1 (0.53) | IDO1AGXTKDM4ESMN1; SMN2GAA | |
| Hydrochloric Acid SCHEMBL15065821 | 0.77 | IDO1 (0.55) | IDO1AGXTKDM4ESMN1; SMN2GAA | |
| Hydrochloric Acid SCHEMBL21332846 | 0.77 | IDO1 (0.55) | IDO1AGXTKDM4ESMN1; SMN2GAA | |
| Hydrochloric Acid SCHEMBL29289846 | 0.77 | IDO1 (0.50) | IDO1AGXTKDM4ESMN1; SMN2GAA | |
| SCHEMBL6693246 | 0.77 | ADRA2B (0.53) | IDO1AGXTKDM4ESMN1; SMN2GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110248929-A | Benzylamino pyrazinyl cyclopropane-carboxylic acid, its pharmaceutical composition and purposes | 勃林格殷格翰国际有限公司 | 2019-09-17 | — | — | CN | disclosed |
| CN-110177773-A | Benzylaminopyridylpropylcyclopropanecarboxylic acids, pharmaceutical compositions thereof and use thereof | 勃林格殷格翰国际有限公司 | 2019-08-27 | — | — | CN | disclosed |
| CN-110088089-A | Benzylamino pyridyl cyclopropane formic acid, medical composition and its use | 勃林格殷格翰国际有限公司 | 2019-08-02 | — | — | CN | disclosed |