Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 10/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30343618 | 0.90 | ALDH1A1 (0.56) | ERN1ALDH1A1CYP2A6MEN1KMT2A | |
| SCHEMBL1133973 | 0.90 | ALDH1A1 (0.56) | ERN1ALDH1A1CYP2A6MEN1KMT2A | |
| SCHEMBL5783154 | 0.88 | ALDH1A1 (0.54) | ERN1ALDH1A1CYP2A6MEN1KMT2A | |
| SCHEMBL9127399 | 0.87 | CYP2A6 (0.48) | ERN1ALDH1A1CYP2A6KIF11KDM4E | |
| SCHEMBL28952758 | 0.86 | ALDH1A1 (0.52) | ERN1ALDH1A1CYP2A6MEN1KMT2A | |
| SCHEMBL28952320 | 0.86 | ALDH1A1 (0.52) | ERN1ALDH1A1CYP2A6MEN1KMT2A | |
| SCHEMBL9798242 | 0.81 | CYP2A6 (0.44) | ALDH1A1CYP2A6KIF11KDM4EPTGS2 | |
| SCHEMBL56836 | 0.80 | CYP2A6 (0.57) | ERN1ALDH1A1CYP2A6MEN1KMT2A | |
| SCHEMBL646886 | 0.78 | CYP2A6 (0.55) | ERN1ALDH1A1CYP2A6MEN1KMT2A | |
| SCHEMBL12260028 | 0.78 | CYP2A6 (0.55) | ERN1ALDH1A1CYP2A6MEN1KMT2A |
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-3987116-A | ETHYNYLARYL COMPOUNDS AND DERIVATIVES THEREOF | WILLIAM H. RORER, INC. (US) | 1976-10-19 | — | — | US | disclosed |