Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | BLM | P54132 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | GMNN | O75496 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | HBB | P68871 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL40771 | 1.00 | TP53 (0.50) | TP53ALDH1A1HTTBLMLMNA | |
| SCHEMBL16348679 | 0.91 | TP53 (0.41) | TP53ALDH1A1HTTBLMLMNA | |
| SCHEMBL5950179 | 0.89 | MEN1 (0.46) | TP53ALDH1A1HTTBLMLMNA | |
| Gamma-Aminobutyric Acid SCHEMBL12610338 | 0.89 | TP53 (0.45) | TP53ALDH1A1HTTBLMLMNA | |
| SCHEMBL6704178 | 0.87 | TP53 (0.51) | TP53ALDH1A1HTTBLMLMNA | |
| SCHEMBL41683 | 0.87 | KDM4E (0.47) | TP53ALDH1A1HTTBLMLMNA | |
| SCHEMBL136036 | 0.87 | TP53 (0.51) | TP53ALDH1A1HTTBLMLMNA | |
| SCHEMBL3208247 | 0.87 | TP53 (0.51) | TP53ALDH1A1HTTBLMLMNA | |
| SCHEMBL8840651 | 0.86 | ALDH1A1 (0.45) | TP53ALDH1A1HTTBLMLMNA | |
| SCHEMBL17441586 | 0.84 | ADORA2A (0.47) | TP53ALDH1A1HTTBLMLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-20190214145-A1 | Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen | KUREK ITZHAK (US) | 2019-07-11 | — | — | US | disclosed |
| WO-2007087541-A2 | ASSAYS FOR S-ADENOSYLMETHIONINE-DEPENDENT METHYLTRANSFERASES | WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2007-08-02 | — | — | WO | disclosed |