Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL127502 | 0.89 | ALDH1A1 (0.58) | ALDH1A1LMNAKDM4EGAAFBP1 | |
| SCHEMBL207817 | 0.89 | ALDH1A1 (0.58) | ALDH1A1CA12CA2CA9CA14 | |
| Ethylene SCHEMBL28615732 | 0.87 | ALDH1A1 (0.55) | ALDH1A1CA12CA2CA9CA14 | |
| Ethylene SCHEMBL28906441 | 0.87 | ALDH1A1 (0.55) | ALDH1A1CA12CA2CA9CA14 | |
| Benzaldehyde SCHEMBL2302571 | 0.85 | ALDH1A1 (0.42) | ALDH1A1LMNAKDM4EGAAFBP1 | |
| Benzene SCHEMBL28598325 | 0.85 | ALDH1A1 (0.52) | ALDH1A1LMNAKDM4EGAAFBP1 | |
| SCHEMBL10243387 | 0.83 | MMP3 (0.52) | ALDH1A1LMNAKDM4EGAAFBP1 | |
| SCHEMBL12567409 | 0.83 | ALDH1A1 (0.50) | ALDH1A1LMNAKDM4EGAAFBP1 | |
| SCHEMBL8351562 | 0.83 | MMP3 (0.52) | ALDH1A1LMNAKDM4EGAAFBP1 | |
| SCHEMBL853731 | 0.82 | CA2 (0.52) | ALDH1A1CYP2A6CA12CA2CA3 |
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-2011092515-A1 | FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY | MICROMASS UK LIMITED (GB) | 2011-08-04 | — | — | WO | disclosed |