Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 3/20 | 0.67 |
| ▸ | HTR2C | P28335 | 8/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27488580 | 0.86 | HTR2C (0.46) | QDPRHTR2CSIGMAR1 | |
| Tert-Butyl Formate SCHEMBL27488926 | 0.86 | SIGMAR1 (0.67) | QDPRHTR2CSIGMAR1 | |
| Tert-Butyl Formate SCHEMBL22471331 | 0.86 | HTR2C (0.46) | QDPRHTR2CSIGMAR1TGFBR1ACVR1 | |
| Tert-Butyl Formate SCHEMBL27724681 | 0.82 | KHK (0.48) | QDPRHTR2CSIGMAR1 | |
| SCHEMBL8380936 | 0.82 | QDPR (1.00) | QDPRHTR2CSIGMAR1ESR1ESR2 | |
| Tert-Butyl Formate SCHEMBL27984616 | 0.80 | SIGMAR1 (0.42) | QDPRHTR2CSIGMAR1TGFBR1ACVR1 | |
| Hydrochloric Acid SCHEMBL17455197 | 0.80 | QDPR (0.96) | QDPRHTR2CSIGMAR1ESR1ESR2 | |
| Tert-Butyl Formate SCHEMBL27892715 | 0.79 | QDPR (0.40) | QDPRHTR2CSIGMAR1TGFBR1ACVR1 | |
| Tert-Butyl Formate SCHEMBL28752854 | 0.78 | HTR2C (0.49) | QDPRHTR2CSIGMAR1 | |
| SCHEMBL15317711 | 0.71 | HTR2C (0.59) | QDPRHTR2CSIGMAR1TGFBR1ACVR1 |
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-100562319-C | 2-cyanopyrrole and pyrimidine and its pharmaceutical use | NOVARTIS AG (CH) | 2009-11-25 | — | — | CN | disclosed |
| CN-1756553-A | 2-cyanopyrrolopyrimidines and pharmaceutical uses thereof | NOVARTIS AG (CH) | 2006-04-05 | — | — | CN | disclosed |