Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HMGCR | P04035 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.39 |
| ▸ | SLC13A5 | Q86YT5 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.36 |
| ▸ | LMNA | P02545 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2829360 | 0.85 | ALDH1A1 (0.60) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL27783525 | 0.81 | ALDH1A1 (0.56) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL17199778 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL27590670 | 0.79 | ALDH1A1 (0.62) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL9249667 | 0.78 | ALDH1A1 (0.48) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Citric Acid SCHEMBL31518964 | 0.77 | ALDH1A1 (0.83) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL29203945 | 0.77 | TSHR (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL23054 | 0.77 | ALDH1A1 (0.60) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL28141423 | 0.77 | ALDH1A1 (0.60) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL9320292 | 0.77 | ALDH1A1 (0.60) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A |
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-1695088-A1 | METHOD FOR ANALYSING METABOLITES | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005059556-A1 | METHOD FOR ANALYSING METABOLITES | MAX PLANCK GESELLLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) | 2005-06-30 | — | — | WO | disclosed |