Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22147 | 0.85 | CYP3A4 (0.73) | CYP3A4CYP2C9RECQLKMT2AMEN1 | |
| SCHEMBL453850 | 0.85 | CYP3A4 (0.79) | CYP3A4CYP2C9RECQLKMT2AMEN1 | |
| SCHEMBL453849 | 0.85 | CYP3A4 (0.79) | CYP3A4CYP2C9RECQLKMT2AMEN1 | |
| SCHEMBL27842426 | 0.83 | CYP3A4 (0.71) | CYP3A4CYP2C9RECQLKMT2AMEN1 | |
| SCHEMBL509572 | 0.83 | CYP3A4 (0.71) | CYP3A4CYP2C9RECQLKMT2AMEN1 | |
| SCHEMBL7265807 | 0.83 | CYP3A4 (0.71) | CYP3A4CYP2C9RECQLKMT2AMEN1 | |
| SCHEMBL8405958 | 0.83 | CYP3A4 (0.71) | CYP3A4CYP2C9RECQLKMT2AMEN1 | |
| SCHEMBL393605 | 0.83 | CYP3A4 (0.71) | CYP3A4CYP2C9RECQLKMT2AMEN1 | |
| SCHEMBL30814247 | 0.82 | CYP3A4 (0.79) | CYP3A4CYP2C9RECQLKMT2AMEN1 | |
| SCHEMBL23573648 | 0.79 | CYP3A4 (0.65) | CYP3A4CYP2C9RECQLKMT2AMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5312984-A | Amidation of vinyl chloride with dimethylamine using a supported palladium catalyst | THE B. F. GOODRICH COMPANY (US) | 1994-05-17 | — | — | US | disclosed |
| US-5159113-A | Vinyl chloride reacted with carbon monoxide and amine | THE B. F. GOODRICH COMPANY (US) | 1992-10-27 | — | — | US | disclosed |
| EP-0185350-A2 | Process for making acrylamide and N-substituted acrylamides | The B.F. GOODRICH Company (US) | 1986-06-25 | — | — | EP | disclosed |
| US-4532358-A | Process for the manufacture of 3-hydroxy-2,6,6,-trimethyl-2 cyclohexen-1-one | HOFFMANN-LA ROCHE INC. (US) | 1985-07-30 | — | — | US | disclosed |