Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.69 |
| ▸ | SYK | P43405 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | FOS | P01100 | 2/20 | 0.57 |
| ▸ | JUN | P05412 | 2/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.57 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.57 |
| ▸ | RELA | Q04206 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28734766 | 1.00 | ALDH1A1 (0.69) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL2941673 | 0.92 | ALDH1A1 (0.68) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL3127909 | 0.92 | ALDH1A1 (0.68) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL18459592 | 0.89 | ALDH1A1 (0.68) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL1521580 | 0.87 | ALDH1A1 (0.76) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL1521611 | 0.85 | ALDH1A1 (0.65) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL2019145 | 0.85 | ALDH1A1 (0.80) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL30873265 | 0.85 | ALDH1A1 (0.65) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL29545771 | 0.83 | ALDH1A1 (0.70) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL1521842 | 0.83 | ALDH1A1 (0.70) | ALDH1A1SYKMAPK1HTTMAPT |
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-3993802-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Nuvation Bio Inc. (US) | 2022-05-11 | — | — | EP | disclosed |