Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ATAD2 | Q6PL18 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL88218 | 0.75 | ALDH1A1 (0.47) | ALDH1A1KDM4EGLAKMT2APOLB | |
| SCHEMBL15384321 | 0.73 | ALDH1A1 (0.46) | ALDH1A1KDM4EGLAKMT2APOLB | |
| SCHEMBL12169061 | 0.73 | ADORA2A (0.36) | ALDH1A1KDM4EPOLBHTTHPGD | |
| Water SCHEMBL3902406 | 0.73 | ALDH1A1 (0.46) | ALDH1A1KDM4EGLAKMT2APOLB | |
| Hydrochloric Acid SCHEMBL6316692 | 0.73 | ALDH1A1 (0.46) | ALDH1A1KDM4EGLAKMT2APOLB | |
| SCHEMBL19530909 | 0.70 | ALDH1A1 (0.47) | ALDH1A1KDM4EGLAKMT2APOLB | |
| SCHEMBL1029816 | 0.68 | KMT2A (0.43) | ALDH1A1KDM4EGLAKMT2APOLB | |
| SCHEMBL4193697 | 0.68 | CASP6 (0.66) | ALDH1A1KDM4EGLAKMT2APOLB | |
| SCHEMBL1270581 | 0.67 | ALDH1A1 (0.41) | ALDH1A1KDM4EGLAKMT2APOLB | |
| SCHEMBL3798203 | 0.67 | RXFP1 (0.41) | ALDH1A1KDM4EGLAKMT2APOLB |
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-104744465-A | Synthetic method of high-purity high-yield theophylline | HEFEI PINGGUANG PHARMACEUTICAL CO LTD | 2015-07-01 | — | — | CN | disclosed |