Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL547666 | 0.82 | — | — | |
| Propane SCHEMBL892321 | 0.82 | MEN1 (0.50) | ALDH1A1TDP1MEN1POLBKMT2A | |
| Butane SCHEMBL27399074 | 0.79 | MEN1 (0.48) | ALDH1A1MEN1POLBKMT2ACA1 | |
| Propionaldehyde SCHEMBL8956006 | 0.78 | — | — | |
| Ethane SCHEMBL27452377 | 0.78 | — | — | |
| Formaldehyde SCHEMBL8998516 | 0.78 | — | — | |
| Formaldehyde SCHEMBL28195257 | 0.78 | ALDH1A1 (0.42) | ALDH1A1TDP1MEN1POLBKMT2A | |
| SCHEMBL15068452 | 0.78 | CA1 (0.46) | ALDH1A1MEN1POLBKMT2ACA1 | |
| SCHEMBL15584 | 0.78 | — | — | |
| SCHEMBL9495362 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4140865-A | FROM ALLYL ALCOHOL AND CARBON MONOXIDE, COBALT, NICKEL, RHODIUM OR PALLADIUM CATALYST, METHYL OR PALLADIUM IODIDE COCATALYST | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-02-20 | — | — | US | disclosed |
| US-3980671-A | REACTING AN ALLYL ETHER OR ALLYL ESTER OF CARBOXYLIC ACID WITH CARBON MONOXIDE IN A CATALYST | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-09-14 | — | — | US | disclosed |