Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KLK7 | P49862 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18218922 | 0.87 | ALDH1A1 (0.46) | KMT2AALDH1A1MEN1TDP1LMNA | |
| SCHEMBL19107060 | 0.83 | MEN1 (0.42) | KMT2AALDH1A1MEN1TDP1LMNA | |
| SCHEMBL23397813 | 0.83 | MEN1 (0.43) | KMT2AALDH1A1MEN1TDP1LMNA | |
| SCHEMBL18206787 | 0.83 | MEN1 (0.43) | KMT2AALDH1A1MEN1TDP1LMNA | |
| SCHEMBL16001587 | 0.82 | KMT2A (0.53) | KMT2AALDH1A1MEN1LMNAMAPT | |
| SCHEMBL11810850 | 0.82 | KMT2A (0.53) | KMT2AALDH1A1MEN1LMNAMAPT | |
| SCHEMBL10826821 | 0.81 | ACE (0.58) | KMT2AALDH1A1MEN1TDP1LMNA | |
| SCHEMBL2689211 | 0.81 | PPARA (0.50) | ALDH1A1KLK7CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19119728 | 0.81 | MEN1 (0.41) | KMT2AALDH1A1MEN1TDP1LMNA | |
| SCHEMBL15561314 | 0.81 | MEN1 (0.41) | KMT2AALDH1A1MEN1TDP1LMNA |
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 |