Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | FSCN1 | Q16658 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21395957 | 0.83 | FSCN1 (0.48) | CYP3A4FSCN1KDM4EGAAKMT2A | |
| SCHEMBL20119975 | 0.82 | KMT2A (0.52) | CYP3A4FSCN1KDM4EGAAKMT2A | |
| SCHEMBL22791400 | 0.76 | FSCN1 (0.43) | CYP3A4FSCN1KDM4EGAAKMT2A | |
| SCHEMBL28026747 | 0.75 | CYP3A4 (0.42) | CYP3A4KDM4EGAAKMT2ATSHR | |
| SCHEMBL18509676 | 0.74 | ALDH1A1 (0.50) | CYP3A4KDM4EGAAKMT2ATSHR | |
| SCHEMBL23084438 | 0.72 | CYP3A4 (0.43) | CYP3A4KDM4EGAAKMT2ATSHR | |
| SCHEMBL11695239 | 0.72 | CYP3A4 (0.43) | CYP3A4GAAKMT2ATSHRMEN1 | |
| SCHEMBL20120040 | 0.72 | ESR2 (0.36) | GAATSHR | |
| SCHEMBL24497945 | 0.72 | TSHR (0.47) | CYP3A4KDM4EGAAKMT2ATSHR | |
| SCHEMBL5539124 | 0.70 | CYP3A4 (0.46) | CYP3A4FSCN1KDM4EGAAKMT2A |
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-2019183358-A2 | WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2019-09-26 | — | — | WO | disclosed |