Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.58 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.58 |
| ▸ | INSR | P06213 | 2/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | KDM4A | O75164 | 4/20 | 0.47 |
| ▸ | KDM2A | Q9Y2K7 | 4/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.43 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9799296 | 1.00 | ALDH1A1 (0.58) | ALDH1A1ALDH3A1ALDH1A3INSRCHRM2 | |
| SCHEMBL10438443 | 0.95 | ALDH1A3 (0.63) | ALDH1A1ALDH3A1ALDH1A3INSRCHRM2 | |
| SCHEMBL9875023 | 0.95 | ALDH1A3 (0.63) | ALDH1A1ALDH3A1ALDH1A3INSRCHRM2 | |
| SCHEMBL9448811 | 0.95 | ALDH1A3 (0.63) | ALDH1A1ALDH3A1ALDH1A3INSRCHRM2 | |
| SCHEMBL609500 | 0.95 | ALDH1A3 (0.63) | ALDH1A1ALDH3A1ALDH1A3INSRCHRM2 | |
| SCHEMBL1166127 | 0.95 | ALDH1A3 (0.63) | ALDH1A1ALDH3A1ALDH1A3INSRCHRM2 | |
| SCHEMBL10010380 | 0.93 | ALDH1A1 (0.61) | ALDH1A1ALDH3A1ALDH1A3INSRCHRM2 | |
| SCHEMBL10010383 | 0.93 | ALDH1A1 (0.61) | ALDH1A1ALDH3A1ALDH1A3INSRCHRM2 | |
| SCHEMBL9442184 | 0.93 | ALDH3A1 (0.61) | ALDH1A1ALDH3A1ALDH1A3INSRCHRM2 | |
| SCHEMBL4003205 | 0.93 | ALDH1A1 (0.66) | ALDH1A1ALDH3A1ALDH1A3INSRCHRM2 |
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 |