Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL623108 | 1.00 | HTT (0.45) | HTTKMT2APTGS1AKR1C3KDM4E | |
| SCHEMBL5894 | 1.00 | — | — | |
| SCHEMBL27531633 | 1.00 | HTT (0.45) | HTTKMT2APTGS1AKR1C3KDM4E | |
| SCHEMBL623803 | 1.00 | HTT (0.45) | HTTKMT2APTGS1AKR1C3KDM4E | |
| SCHEMBL28517 | 1.00 | — | — | |
| SCHEMBL5893 | 1.00 | — | — | |
| SCHEMBL8089680 | 0.97 | HTT (0.43) | HTTKMT2APTGS1AKR1C3KDM4E | |
| SCHEMBL10685484 | 0.97 | HTT (0.43) | HTTKMT2APTGS1AKR1C3KDM4E | |
| Bromide SCHEMBL8064197 | 0.97 | HTT (0.43) | HTTKMT2APTGS1AKR1C3KDM4E | |
| Ammonia Solution, Strong SCHEMBL16423856 | 0.97 | HTT (0.43) | HTTKMT2APTGS1AKR1C3KDM4E |
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 |