Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | TTK | P33981 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.42 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | RGS12 | O14924 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | BRCA1 | P38398 | 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 | |
|---|---|---|---|---|
| SCHEMBL18000289 | 0.84 | GRIA2 (0.39) | CCNCCDK8ALDH1A1MAPTRECQL | |
| SCHEMBL18509446 | 0.84 | GRIA2 (0.39) | CCNCCDK8ALDH1A1MAPTRECQL | |
| SCHEMBL19871248 | 0.82 | ALDH1A1 (0.46) | CCNCCDK8NR4A2ALDH1A1MAPT | |
| SCHEMBL18029322 | 0.82 | NR4A2 (0.53) | CCNCCDK8NR4A2ALDH1A1MAPT | |
| SCHEMBL18029128 | 0.80 | ALDH1A1 (0.44) | ALDH1A1MAPTRECQLHDAC8 | |
| SCHEMBL18029009 | 0.76 | MAPT (0.49) | ALDH1A1MAPTRECQLUSP2RGS12 | |
| SCHEMBL29311808 | 0.76 | NOS3 (0.43) | ALDH1A1MAPTRECQLUSP2RGS12 | |
| SCHEMBL20120039 | 0.75 | KMT2A (0.47) | AURKATTKAURKBINCENPCCNC | |
| SCHEMBL18029141 | 0.74 | CRHBP (0.41) | ALDH1A1MAPTRECQLGRIA2 | |
| SCHEMBL18000273 | 0.74 | CRHBP (0.41) | ALDH1A1MAPTRECQLGRIA2 |
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-2018081456-A1 | HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2018-05-03 | — | — | WO | disclosed |