Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.33 |
| ▸ | CHRNG | P07510 | 2/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | CHRND | Q07001 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA3 | P07451 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CA6 | P23280 | 2/20 | 0.33 |
| ▸ | CA5A | P35218 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21158900 | 0.86 | POLB (0.37) | HTR2AHTTSMN1; SMN2KDM4EGAA | |
| SCHEMBL10137802 | 0.79 | TSHR (0.46) | CA12CA1CA2CA3CA4 | |
| SCHEMBL23424107 | 0.73 | PDK2 (0.42) | KDM4ECYP2C19MEN1KMT2ABCL2 | |
| SCHEMBL17069268 | 0.73 | POLB (0.40) | FFAR1SMN1; SMN2KDM4EGAADBH | |
| SCHEMBL22548894 | 0.73 | PDK2 (0.36) | HTR2AFFAR1KDM4EGAADBH | |
| SCHEMBL29310318 | 0.72 | FFAR1 (0.48) | FFAR1SMN1; SMN2KDM4EGAADBH | |
| SCHEMBL22548703 | 0.72 | BCL2 (0.36) | KDM4EGAADBHRECQLPOLB | |
| SCHEMBL22548868 | 0.71 | BCL2 (0.40) | HTR2AHTTKDM4EPOLBBCL2 | |
| SCHEMBL23815804 | 0.69 | KDM4E (0.46) | HTR2ASLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL23815802 | 0.69 | ALDH1A1 (0.41) | HTTKDM4EMEN1KMT2ABCL2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017215627-A1 | PREPARATION METHOD FOR CHIRAL PYRROLOPYRIMIDINE COMPOUND | 正大天晴药业集团股份有限公司 | 2017-12-21 | — | — | WO | disclosed |