Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL27911468 | 0.85 | TSHR (0.54) | LMNAALDH1A1NPC1KMT2AMAPT | |
| Benzil SCHEMBL28893812 | 0.85 | CES2 (0.54) | LMNAALDH1A1MAPTCES2CES1 | |
| Benzophenone SCHEMBL27578794 | 0.85 | ALDH1A1 (0.54) | SMN1; SMN2LMNAALDH1A1NPC1KMT2A | |
| Acetophenone SCHEMBL28410239 | 0.84 | LMNA (0.47) | SMN1; SMN2LMNAALDH1A1NPC1KMT2A | |
| Benzoyl Peroxide SCHEMBL27983972 | 0.82 | LMNA (0.61) | SMN1; SMN2LMNAALDH1A1NPC1KMT2A | |
| Methyl Benzoate SCHEMBL28054188 | 0.81 | TSHR (0.66) | SMN1; SMN2LMNAALDH1A1NPC1KMT2A | |
| Thiobenzoic Acid SCHEMBL28633716 | 0.79 | ALDH1A1 (0.38) | SMN1; SMN2LMNAALDH1A1NPC1KMT2A | |
| Bromobenzene SCHEMBL27280875 | 0.77 | ALDH1A1 (0.46) | LMNAALDH1A1KMT2AMAPTMEN1 | |
| Ethylbenzene SCHEMBL27309269 | 0.77 | TP53 (0.58) | SMN1; SMN2LMNAALDH1A1NPC1KMT2A | |
| Phenol SCHEMBL27397777 | 0.77 | CA12 (0.46) | LMNAALDH1A1KMT2AMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110028407-A | A kind of method preparing -1 ', 3 '-dione compounds of spiral shell [cyclopropane -1,2 '-indenes] | 苏州大学 | 2019-07-19 | — | — | CN | disclosed |