Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL29080306 | 0.79 | PYCR1 (0.37) | LMNACYP2A6ACACB | |
| SCHEMBL29080275 | 0.79 | LMNA (0.42) | KCNH2MEN1KMT2AMAPTLMNA | |
| SCHEMBL29080255 | 0.79 | FFAR1 (0.37) | LMNASMN1; SMN2GRM5FFAR1CHRM2 | |
| SCHEMBL29080261 | 0.79 | CYP2A6 (0.39) | KCNH2ALDH1A1LMNACYP2A6CA12 | |
| SCHEMBL2117815 | 0.78 | CYP1A2 (0.52) | MEN1KMT2APOLBALDH1A1MAPT | |
| SCHEMBL29080251 | 0.77 | GRM5 (0.46) | HTTSMN1; SMN2GRM5CA12CA1 | |
| SCHEMBL17578918 | 0.73 | KCNH2 (0.55) | KCNH2MEN1KMT2APOLBALDH1A1 | |
| SCHEMBL29114228 | 0.71 | GRM5 (0.43) | KCNH2MEN1KMT2APOLBALDH1A1 | |
| SCHEMBL1066892 | 0.71 | KCNH2 (0.53) | KCNH2MEN1KMT2APOLBALDH1A1 | |
| SCHEMBL7038938 | 0.71 | CYP2C19 (0.60) | KCNH2MEN1KMT2APOLBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115490567-A | 1, 3-eneyne compound synthesized by copper catalysis and synthesis method thereof | 西安交通大学 | 2022-12-20 | — | — | CN | disclosed |