Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | FABP4 | P15090 | 3/20 | 0.39 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.39 |
| ▸ | FABP3 | P05413 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYSLTR2 | Q9NS75 | 3/20 | 0.38 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.38 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 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 | |
|---|---|---|---|---|
| SCHEMBL19872770 | 0.86 | EGFR (0.48) | EGFRNPC1RAB9AHDAC6CMA1 | |
| SCHEMBL21392209 | 0.86 | EGFR (0.49) | EGFRNPC1RAB9APARP1HDAC6 | |
| SCHEMBL20120013 | 0.83 | EGFR (0.46) | EGFRNPC1RAB9AGAACYSLTR2 | |
| SCHEMBL21392207 | 0.83 | EGFR (0.46) | EGFRNPC1RAB9AHDAC6CMA1 | |
| SCHEMBL18509698 | 0.83 | EGFR (0.46) | EGFRNPC1RAB9AHDAC6CMA1 | |
| SCHEMBL18509922 | 0.81 | EGFR (0.47) | EGFRNPC1RAB9AHDAC6CMA1 | |
| SCHEMBL18509747 | 0.81 | EGFR (0.47) | EGFRNPC1RAB9AHDAC6CMA1 | |
| SCHEMBL18509551 | 0.81 | ABCB1 (0.48) | EGFRNPC1RAB9AALDH1A1GAA | |
| SCHEMBL18509744 | 0.80 | EGFR (0.43) | EGFRNPC1RAB9AHDAC6CMA1 | |
| SCHEMBL18509286 | 0.79 | SLC22A12 (0.42) | EGFRNPC1RAB9AHDAC6CMA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018081456-A1 | HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2018-05-03 | — | — | WO | disclosed |
| WO-2016134145-A9 | ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2017-02-16 | — | — | WO | disclosed |