Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4138504 | 0.80 | HSD17B1 (0.44) | CYP2A6ESR1ESR2CYP1A2ALDH1A1 | |
| SCHEMBL29290423 | 0.78 | MAPK14 (0.38) | CYP1A2MEN1KMT2AHPGDSMN1; SMN2 | |
| SCHEMBL28087538 | 0.75 | CYP2A6 (0.34) | CYP2A6ESR1ESR2CYP1A2ALDH1A1 | |
| SCHEMBL13398620 | 0.74 | DAO (0.55) | ALDH1A1MEN1KMT2AHPGDSMN1; SMN2 | |
| SCHEMBL28087524 | 0.74 | GRM6 (0.38) | CYP2A6ESR1ALDH1A1MAPTALOX5 | |
| SCHEMBL5791411 | 0.71 | PLA2G7 (0.44) | ESR1ESR2CYP1A2ALDH1A1MEN1 | |
| SCHEMBL197250 | 0.68 | CYP2A6 (0.61) | CYP2A6ESR1CYP1A2ALDH1A1MEN1 | |
| SCHEMBL2932603 | 0.65 | AHR (0.52) | CYP2A6ESR2CYP1A2ALDH1A1MEN1 | |
| SCHEMBL544902 | 0.65 | TDO2 (0.42) | CYP2A6ESR1ALDH1A1MEN1KMT2A | |
| SCHEMBL1895888 | 0.65 | CASP3 (0.56) | CYP2A6ESR1ESR2CYP1A2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115151550-A | Ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof | 桑福德·伯纳姆·普雷比医学发现研究所 | 2022-10-04 | — | — | CN | disclosed |
| CN-104011054-B | As the thieno of potassium channel inhibitors and Furanopyrimidines class and pyridines | 森申有限公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-103492392-B | Thieno [2,3-d ] pyrimidine derivatives and their use for the treatment of cardiac arrhythmias | XENTION LTD. (GB) | 2015-11-25 | — | — | CN | disclosed |