Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.37 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 10/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 10/20 | 0.36 |
| ▸ | MAPT | P10636 | 7/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | BCHE | P06276 | 3/20 | 0.34 |
| ▸ | ACHE | P22303 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14329685 | 0.89 | ALDH1A1 (0.36) | ALDH1A1ALDH3A1ALDH1A3MEN1KMT2A | |
| SCHEMBL14328155 | 0.87 | ALDH1A1 (0.35) | ALDH1A1ALDH3A1ALDH1A3MEN1KMT2A | |
| SCHEMBL14320257 | 0.87 | ALDH1A1 (0.44) | ALDH1A1ALDH3A1ALDH1A3MEN1KMT2A | |
| SCHEMBL14320256 | 0.87 | ALDH1A1 (0.44) | ALDH1A1ALDH3A1ALDH1A3MEN1KMT2A | |
| SCHEMBL14328142 | 0.82 | ALDH1A1 (0.38) | ALDH1A1ALDH3A1ALDH1A3MEN1KMT2A | |
| SCHEMBL14328150 | 0.80 | CHRM2 (0.31) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL14316960 | 0.77 | MEN1 (0.32) | ALDH1A1MEN1KMT2AMAPTGAA | |
| SCHEMBL21708185 | 0.75 | MEN1 (0.33) | ALDH1A1MEN1KMT2AAPP | |
| SCHEMBL14316965 | 0.74 | MEN1 (0.33) | ALDH1A1MEN1KMT2AMAPTLMNA | |
| SCHEMBL8977050 | 0.73 | MEN1 (0.32) | ALDH1A1MEN1KMT2A |
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-2011081970-A2 | MOLECULES RELATED hERG Ion CHANNELS AND THE USE THEREOF | CORNING INCORPORATED (US) | 2011-07-07 | — | — | WO | disclosed |