Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.44 |
| ▸ | PRKCI | P41743 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17934442 | 0.80 | ENPP2 (0.54) | ENPP2TSHRNOS3NOS1NOS2 | |
| SCHEMBL13555323 | 0.80 | ENPP2 (0.45) | ENPP2TSHRPRSS1PRSS2PRSS3 | |
| SCHEMBL13418181 | 0.80 | TP53 (0.42) | SMN1; SMN2 | |
| SCHEMBL23048310 | 0.78 | MAOA (0.50) | TDP1 | |
| SCHEMBL123838 | 0.77 | TSHR (0.61) | ENPP2TSHRPRSS1PRSS2PRSS3 | |
| SCHEMBL23650068 | 0.77 | PRKCI (0.43) | ENPP2TSHRPRSS1PRSS2PRSS3 | |
| SCHEMBL26575268 | 0.75 | NOS1 (0.49) | TSHRNOS1NOS2 | |
| SCHEMBL6426700 | 0.75 | ERN1 (0.41) | MRGPRX4SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL14334287 | 0.75 | ENPP2 (0.58) | ENPP2TSHRPRSS1PRSS2PRSS3 | |
| SCHEMBL2643059 | 0.73 | — | — |
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-3919492-A1 | PYRIMIDINYL GROUP-CONTAINING TRICYCLIC COMPOUND SERVING AS C-MET INHIBITOR | Medshine Discovery Inc. (CN) | 2021-12-08 | — | — | EP | disclosed |
| WO-2016127455-A1 | PYRIMIDINE DERIVATIVE, CYTOTOXIC AGENT, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 南京盖特医药技术有限公司 | 2016-08-18 | — | — | WO | disclosed |