Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.42 |
| ▸ | RELA | Q04206 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.40 |
| ▸ | FLT3 | P36888 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL1147868 | 0.88 | KDM4E (0.49) | ALDH1A1PKMNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3256178 | 0.87 | SMN1; SMN2 (0.49) | ALDH1A1PKMNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3244126 | 0.87 | KCNH2 (0.49) | ALDH1A1PKMNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3256176 | 0.75 | KMT2A (0.50) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL3254209 | 0.75 | SLC22A12 (0.45) | IRAK4SLC22A12 | |
| SCHEMBL3254205 | 0.75 | SLC22A12 (0.45) | IRAK4SLC22A12 | |
| SCHEMBL1147533 | 0.75 | KCNH2 (0.60) | ALDH1A1PKMNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1148133 | 0.75 | KDM4E (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL1147941 | 0.74 | MAPT (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL1147940 | 0.74 | MAPT (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2001478-B1 | CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-06-02 | — | — | EP | claimed |