Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.43 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.43 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29538085 | 0.89 | — | — | |
| SCHEMBL17800 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL14636438 | 0.87 | — | — | |
| SCHEMBL32681750 | 0.87 | — | — | |
| SCHEMBL18343594 | 0.82 | PIK3CD (0.41) | NAPRTKCNQ3KCNQ2KCNE1KCNQ1 | |
| Methylamine SCHEMBL27656685 | 0.82 | PIK3CD (0.46) | NAPRTKCNQ3KCNQ2KCNE1KCNQ1 | |
| Formic Acid SCHEMBL28844167 | 0.81 | NAPRT (0.47) | NAPRTKCNQ3KCNQ2KCNE1KCNQ1 | |
| SCHEMBL28048004 | 0.80 | NAPRT (0.45) | NAPRTKCNQ3KCNQ2KCNE1KCNQ1 | |
| Formic Acid SCHEMBL28190349 | 0.79 | NAPRT (0.45) | NAPRTKCNQ3KCNQ2KCNE1KCNQ1 | |
| Pyridine SCHEMBL4282004 | 0.75 | CYP2A6 (0.52) | NAPRTKCNQ3KCNQ2KCNE1KCNQ1 |
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-103694236-A | Novel antineoplastic compound containing pyrimidine skeleton and hedgehog pathway antagonist activity | SUZHOU YUNXUAN MEDICINE SCIENCE & TECHNOLOGY CO LTD | 2014-04-02 | — | — | CN | disclosed |
| CN-103588771-A | Pyrimidine antitumor compound with Hedgehog antagonist activity | SUZHOU YUNXUAN PHARMACEUTICAL CO LTD | 2014-02-19 | — | — | CN | disclosed |