Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | FBP1 | P09467 | 7/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | VCAM1 | P19320 | 4/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | EYA2 | O00167 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28107131 | 0.79 | ALDH1A1 (0.59) | ALDH1A1TDP1FBP1LMNAMAPT | |
| 3-Nitrobenzaldehyde SCHEMBL27450641 | 0.78 | ALDH1A1 (0.47) | ALDH1A1FBP1LMNAMAPTMEN1 | |
| SCHEMBL16089350 | 0.75 | VCAM1 (0.61) | ALDH1A1FBP1LMNAMAPTMEN1 | |
| SCHEMBL57257 | 0.75 | VCAM1 (0.61) | ALDH1A1FBP1LMNAMAPTMEN1 | |
| SCHEMBL3368024 | 0.75 | CYP19A1 (0.73) | ALDH1A1TDP1FBP1MAPTMEN1 | |
| SCHEMBL3368036 | 0.75 | CYP19A1 (0.73) | ALDH1A1TDP1FBP1MAPTMEN1 | |
| SCHEMBL12486647 | 0.74 | CYP1A2 (0.66) | ALDH1A1TDP1FBP1LMNAMAPT | |
| SCHEMBL12486650 | 0.74 | CYP1A2 (0.66) | ALDH1A1TDP1FBP1LMNAMAPT | |
| Selenium SCHEMBL9497333 | 0.74 | VCAM1 (0.59) | ALDH1A1FBP1LMNAMAPTMEN1 | |
| SCHEMBL29672621 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2529388-A1 | FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY | Micromass UK Limited (GB) | 2012-12-05 | — | — | EP | claimed |
| WO-2011092515-A1 | FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY | MICROMASS UK LIMITED (GB) | 2011-08-04 | — | — | WO | claimed |