Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.49 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.49 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5050376 | 0.91 | ALDH1A1 (0.55) | ALDH1A1CYP3A4LMNAALOX15HSD17B10 | |
| SCHEMBL5050377 | 0.91 | ALDH1A1 (0.55) | ALDH1A1CYP3A4LMNAALOX15HSD17B10 | |
| SCHEMBL17709719 | 0.87 | ALDH1A1 (0.63) | ALDH1A1CYP3A4LMNAALOX15HSD17B10 | |
| SCHEMBL17709720 | 0.87 | ALDH1A1 (0.63) | ALDH1A1CYP3A4LMNAALOX15HSD17B10 | |
| SCHEMBL17709726 | 0.87 | ALDH1A1 (0.63) | ALDH1A1CYP3A4LMNAALOX15HSD17B10 | |
| SCHEMBL17709725 | 0.87 | ALDH1A1 (0.63) | ALDH1A1CYP3A4LMNAALOX15HSD17B10 | |
| SCHEMBL17369621 | 0.85 | TSHR (0.52) | ALDH1A1CYP3A4LMNAALOX15HSD17B10 | |
| SCHEMBL10085836 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CYP3A4LMNAALOX15HSD17B10 | |
| SCHEMBL15149451 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CYP3A4LMNAALOX15HSD17B10 | |
| SCHEMBL30712794 | 0.82 | ALDH1A1 (0.58) | ALDH1A1CYP3A4LMNAALOX15HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010105851-A1 | PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-23 | — | — | WO | disclosed |