Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 6/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2439976 | 0.83 | SMN1; SMN2 (0.47) | SMN1; SMN2RAB9ANPC1ALDH1A1CYP1A2 | |
| SCHEMBL2439973 | 0.83 | RAB9A (0.47) | SMN1; SMN2RAB9ANPC1ALDH1A1CYP1A2 | |
| SCHEMBL15971808 | 0.82 | PRKDC (0.46) | SMN1; SMN2RAB9ANPC1ALDH1A1CYP1A2 | |
| SCHEMBL15223500 | 0.80 | RAB9A (0.56) | SMN1; SMN2RAB9ANPC1ALDH1A1CYP1A2 | |
| SCHEMBL28872983 | 0.80 | SMN1; SMN2 (0.63) | SMN1; SMN2RAB9ANPC1ALDH1A1CYP1A2 | |
| SCHEMBL28296111 | 0.78 | ALDH1A1 (0.52) | SMN1; SMN2RAB9ANPC1ALDH1A1CYP1A2 | |
| SCHEMBL3439414 | 0.77 | RAB9A (0.56) | SMN1; SMN2RAB9ANPC1ALDH1A1CYP1A2 | |
| SCHEMBL29417566 | 0.77 | SMN1; SMN2 (0.52) | SMN1; SMN2RAB9ANPC1ALDH1A1CYP1A2 | |
| SCHEMBL11918962 | 0.77 | SMN1; SMN2 (0.49) | SMN1; SMN2RAB9ANPC1ALDH1A1CYP1A2 | |
| SCHEMBL28292635 | 0.75 | SCN10A (0.44) | ALDH1A1KDM4EMAPT |
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-105189480-A | Pyrimidine compounds useful in the treatment of disorders mediated by the IKK and/or TBK-1 mechanism | DOMAINEX LTD | 2015-12-23 | — | — | CN | disclosed |