Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6825821 | 0.82 | ALDH1A1 (0.64) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL1752264 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL41372 | 0.81 | ALDH1A1 (0.82) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL31363577 | 0.81 | ALDH1A1 (0.62) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL7584620 | 0.81 | ALDH1A1 (0.62) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL8474920 | 0.79 | ALDH1A1 (0.60) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL27893746 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL14491377 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL15304259 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA | |
| SCHEMBL2778514 | 0.78 | ALDH1A1 (0.69) | ALDH1A1CYP2C19CYP3A4CYP2C9LMNA |
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-1181013-A | Anti-virus triaza compounds | RES FOUNDATION OF STATE UNIV O (US) | 1998-05-06 | — | — | CN | disclosed |