Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | INSR | P06213 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2428643 | 0.81 | NFE2L2 (0.40) | ATG4BEGFRTDP1TP53MAPT | |
| SCHEMBL2428647 | 0.81 | NFE2L2 (0.40) | ATG4BEGFRTDP1TP53MAPT | |
| SCHEMBL9798478 | 0.80 | ALDH3A1 (0.56) | ALDH3A1ALDH1A3ALDH1A1TDP1APP | |
| SCHEMBL6090762 | 0.77 | ATG4B (0.42) | ATG4BINSRBCHEACHEAPP | |
| SCHEMBL6090752 | 0.77 | ATG4B (0.42) | ATG4BINSRBCHEACHEAPP | |
| SCHEMBL28387158 | 0.75 | INSR (0.55) | ATG4BEGFRINSR | |
| SCHEMBL9822952 | 0.75 | INSR (0.55) | ATG4BEGFRINSR | |
| SCHEMBL9799290 | 0.74 | ALDH1A1 (0.58) | ALDH3A1ALDH1A3ALDH1A1ATG4BMAPT | |
| SCHEMBL9799296 | 0.74 | ALDH1A1 (0.58) | ALDH3A1ALDH1A3ALDH1A1ATG4BMAPT | |
| SCHEMBL5493740 | 0.73 | INSR (0.53) | ATG4BMAPTINSRAPP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0411103-A1 | NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS | MERCK PATENT GmbH (DE) | 1991-02-06 | — | — | EP | disclosed |
| WO-1990009616-A1 | NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-23 | — | — | WO | disclosed |