Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 4/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | CTSG | P08311 | 1/20 | 0.44 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL9828829 | 0.84 | POLB (0.57) | POLBCYP2C9SMN1; SMN2EPHX1GAA | |
| SCHEMBL28456818 | 0.84 | POLB (0.57) | POLBCYP2C9SMN1; SMN2EPHX1GAA | |
| SCHEMBL9828824 | 0.84 | POLB (0.57) | POLBCYP2C9SMN1; SMN2EPHX1GAA | |
| SCHEMBL28445140 | 0.83 | POLB (0.61) | POLBCYP2C9SMN1; SMN2EPHX1GAA | |
| SCHEMBL28451349 | 0.83 | POLB (0.56) | POLBCYP2C9SMN1; SMN2EPHX1GAA | |
| SCHEMBL15524612 | 0.83 | POLB (0.56) | POLBCYP2C9SMN1; SMN2EPHX1GAA | |
| SCHEMBL9623645 | 0.82 | POLB (0.69) | POLBCYP2C9SMN1; SMN2EPHX1GAA | |
| SCHEMBL12471403 | 0.81 | POLB (0.54) | POLBCYP2C9SMN1; SMN2EPHX1GAA | |
| SCHEMBL15524616 | 0.80 | NAALAD2 (0.59) | POLBCYP2C9SMN1; SMN2EPHX1GAA | |
| SCHEMBL8254901 | 0.80 | POLB (0.53) | POLBCYP2C9SMN1; SMN2EPHX1GAA |
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-111196772-B | Aroylamino isobutyryl derivative and application thereof | 沈阳化工研究院有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-111196772-A | Aroylamino isobutyryl derivative and application thereof | 沈阳化工研究院有限公司 | 2020-05-26 | — | — | CN | disclosed |