Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30616243 | 0.78 | ALDH1A1 (0.50) | ALDH1A1RAB9AMAPTELANEKDM4E | |
| SCHEMBL27178158 | 0.76 | RAB9A (0.60) | ALDH1A1ALOX12RAB9AMAPTKDM4E | |
| SCHEMBL27178150 | 0.76 | RAB9A (0.60) | ALDH1A1ALOX12RAB9AMAPTKDM4E | |
| SCHEMBL14938455 | 0.76 | MAPT (0.64) | ALDH1A1RAB9AMAPTKDM4ELMNA | |
| SCHEMBL14938622 | 0.75 | GAA (0.48) | ALDH1A1RAB9AMAPTELANEKDM4E | |
| SCHEMBL14938620 | 0.75 | GAA (0.48) | ALDH1A1RAB9AMAPTELANEKDM4E | |
| SCHEMBL14938436 | 0.73 | ALDH1A1 (0.51) | ALDH1A1RAB9AMAPTELANEKDM4E | |
| SCHEMBL3079124 | 0.73 | ELANE (0.73) | ALDH1A1RAB9AMAPTELANEL3MBTL1 | |
| SCHEMBL3193624 | 0.73 | ELANE (0.73) | ALDH1A1RAB9AMAPTELANEL3MBTL1 | |
| SCHEMBL12642500 | 0.73 | ELANE (0.73) | ALDH1A1RAB9AMAPTELANEL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013067646-A1 | PROCESS FOR THE SYNTHESIS OF BETA-AMINOCARBONYLS | UNIVERSITY OF OTTAWA (CA) | 2013-05-16 | — | — | WO | disclosed |