Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | GFER | P55789 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8636088 | 1.00 | ALDH1A1 (0.50) | ALDH1A1KMT2AGAAATMPOLB | |
| SCHEMBL8636630 | 0.91 | ALDH1A1 (0.41) | ALDH1A1KMT2AGAAATMPOLB | |
| SCHEMBL3165809 | 0.63 | KMT2A (0.79) | ALDH1A1KMT2AGAAATMPOLB | |
| SCHEMBL13183175 | 0.62 | ACHE (0.37) | ALDH1A1 | |
| SCHEMBL8944270 | 0.62 | ACHE (0.42) | ALDH1A1KMT2AGAAATMPOLB | |
| SCHEMBL8944266 | 0.62 | ACHE (0.42) | ALDH1A1KMT2AGAAATMPOLB | |
| SCHEMBL14609687 | 0.61 | CTSL (0.39) | KMT2AGAAPOLBMEN1RAB9A | |
| SCHEMBL12713378 | 0.60 | — | — | |
| SCHEMBL12713377 | 0.60 | — | — | |
| SCHEMBL14276074 | 0.59 | KMT2A (0.39) | ALDH1A1KMT2AGAAATMPOLB |
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-0687258-B1 | SUBSTITUTED IMINOACETONITRILES WITH MYOCARDIAL PROTECTIVE EFFECT | HOECHST AG (DE) | 1998-07-22 | — | — | EP | disclosed |