Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.63 |
| ▸ | MEN1 | O00255 | 4/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | FASN | P49327 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.37 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| 2,4,6-Trihydroxyacetophenone SCHEMBL105416 | 0.79 | CYP3A4 (1.00) | CYP3A4MEN1KMT2AHPGDPOLB | |
| 2,4,6-Trihydroxyacetophenone SCHEMBL564755 | 0.77 | CYP3A4 (0.95) | CYP3A4MEN1KMT2AHPGDPOLB | |
| 2,4,6-Trihydroxyacetophenone SCHEMBL1421619 | 0.77 | CYP3A4 (0.95) | CYP3A4MEN1KMT2AHPGDPOLB | |
| SCHEMBL24565087 | 0.76 | NR1H2 (0.70) | CYP3A4MEN1KMT2AHPGDPTGS1 | |
| SCHEMBL12151164 | 0.76 | CYP3A4 (0.45) | CYP3A4MEN1KMT2AHPGDPOLB | |
| SCHEMBL28089366 | 0.74 | PTPN1 (0.60) | CYP3A4MEN1KMT2AHPGDPOLB | |
| SCHEMBL28014834 | 0.74 | PTPN1 (0.60) | CYP3A4MEN1KMT2AHPGDPOLB | |
| 2,4,6-Trihydroxyacetophenone SCHEMBL27884985 | 0.73 | CYP3A4 (0.86) | CYP3A4MEN1KMT2AHPGDPOLB | |
| Formaldehyde SCHEMBL28176875 | 0.72 | THRB (0.61) | CYP3A4MEN1KMT2AHPGDTHRB | |
| SCHEMBL16541776 | 0.72 | CA5A (0.38) | CYP3A4MEN1KMT2AHPGDACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-20170191046-A1 | LACTONE HYDROLASE AND METHOD OF DEGRADING ALPHA-ZEARALENOL USING THE SAME | TIANJIN INSTITUTE OF INDUSTRIAL BIOTECHNOLOGY, CHINESE ACADEMY OF SCIENCES (CN) | 2017-07-06 | — | — | US | disclosed |