Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8973925 | 0.81 | KMT2A (0.49) | ALDH1A1MAPK1KMT2AVCAM1TDP1 | |
| SCHEMBL2993376 | 0.79 | ALDH1A1 (0.67) | ALDH1A1HTTMAPK1MAPTMEN1 | |
| SCHEMBL4802117 | 0.79 | ADAMTS4 (0.41) | ALDH1A1HTTMAPK1L3MBTL1TDP1 | |
| SCHEMBL9734100 | 0.71 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL2990276 | 0.70 | ALDH1A1 (0.67) | ALDH1A1HTTMAPK1MAPTMEN1 | |
| SCHEMBL20522280 | 0.70 | LMNA (0.58) | ALDH1A1HTTMEN1KMT2APKM | |
| SCHEMBL28470101 | 0.70 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL8973579 | 0.68 | ALDH1A1 (0.56) | ALDH1A1MAPTMEN1KMT2ACYP3A4 | |
| SCHEMBL28472152 | 0.68 | ALDH1A1 (0.56) | ALDH1A1MAPTMEN1KMT2ACYP3A4 | |
| SCHEMBL14058836 | 0.68 | CA2 (0.58) | ALDH1A1MAPTPKMVCAM1LMNA |
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-2008030120-A1 | A METHOD FOR THE FLUORESCENT DETECTION OF NITROREDUCTASE ACTIVITY USING NITRO-SUBSTITUTED AROMATIC COMPOUNDS | AUCKLAND UNISERVICES LIMITED (NZ) | 2008-03-13 | — | — | WO | claimed |