Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL4033823 | 0.85 | DAO (0.48) | ALDH1A1CES2CES1DAOMAPT | |
| Ethyl Acetate SCHEMBL4030736 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TSHRMAPTLMNAKDM4E | |
| SCHEMBL28331183 | 0.79 | TDP1 (0.42) | ALDH1A1TSHRCES2CES1DAO | |
| SCHEMBL15349416 | 0.79 | CES2 (0.43) | ALDH1A1TSHRCES2CES1DAO | |
| SCHEMBL9016 | 0.79 | — | — | |
| SCHEMBL28193918 | 0.78 | CES2 (0.54) | ALDH1A1TSHRCES2CES1DAO | |
| Bromide SCHEMBL4972227 | 0.77 | — | — | |
| Methane SCHEMBL1154428 | 0.77 | — | — | |
| Hydrogen Sulfide SCHEMBL28815401 | 0.77 | — | — | |
| SCHEMBL9682634 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4214092-A | Rearrangement of acyloxy furans and thiophenes prepared from butenolides | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 1980-07-22 | — | — | US | disclosed |