Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | AURKA | O14965 | 2/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27830093 | 0.87 | MAPT (0.48) | ALDH1A1SMN1; SMN2CYP3A4KMT2APOLB | |
| SCHEMBL29638622 | 0.77 | PARP1 (0.44) | AURKARPS6KB1PARP1 | |
| SCHEMBL29638494 | 0.76 | PARP1 (0.51) | AURKARPS6KB1TDP1PARP1 | |
| SCHEMBL15544783 | 0.73 | PARP1 (0.41) | RPS6KB1TDP1PARP1 | |
| SCHEMBL29638640 | 0.72 | PARP1 (0.46) | AURKARPS6KB1KDM4EPARP1 | |
| SCHEMBL6071986 | 0.71 | ALDH1A1 (0.47) | ALDH1A1LMNASMN1; SMN2CYP3A4KMT2A | |
| SCHEMBL528715 | 0.69 | PARP1 (0.62) | AURKARPS6KB1PARP1 | |
| SCHEMBL29558330 | 0.69 | PARP1 (0.62) | AURKARPS6KB1PARP1 | |
| SCHEMBL29081841 | 0.69 | ALDH1A1 (0.54) | ALDH1A1LMNASMN1; SMN2CYP3A4KMT2A | |
| SCHEMBL3265420 | 0.68 | RPS6KB1 (0.43) | ALDH1A1RPS6KB1 |
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-102317269-A | Novel amino aza heterocyclic carboxamides | MERCK PATENT GMBH | 2012-01-11 | — | — | CN | disclosed |