Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | AOC2 | O75106 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | GRK2 | P25098 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL4554708 | 0.77 | NPSR1 (0.55) | ALDH1A1POLBRAB9AMEN1KMT2A | |
| SCHEMBL666992 | 0.74 | APP (0.49) | ALDH1A1POLBRAB9AMEN1KMT2A | |
| SCHEMBL6561789 | 0.71 | NPC1 (0.60) | ACACBPOLBRAB9AMEN1KMT2A | |
| SCHEMBL6563230 | 0.70 | ALDH1A1 (0.43) | ALDH1A1 | |
| SCHEMBL8022190 | 0.70 | PTPN11 (0.53) | ALDH1A1POLBMAPTRAB9AMEN1 | |
| SCHEMBL402534 | 0.69 | APP (0.55) | ACACBALDH1A1POLBNSD2GRK2 | |
| SCHEMBL403365 | 0.69 | ACACB (0.49) | ACACB | |
| SCHEMBL2241437 | 0.67 | KMT2A (0.71) | ALDH1A1AOC2POLBNSD2GRK2 | |
| SCHEMBL3893087 | 0.67 | KDM4E (0.45) | ACACBALDH1A1AOC2POLBNSD2 | |
| SCHEMBL168605 | 0.66 | ACACB (1.00) | ACACB |
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-6069247-A | REACTING AN ACETYLENECARBOXY AMIDE AND AN ARYL OR HETEROCYCLYL HALIDE OR A GROUP ENHANCING THE ELECTROPHILICITY OF THE ATOM TO WHICH IT IS ATTACHED FOR DISPLACEMENT; USING A PALLADIUM COMPOUND CATALYST, A BASE AND AN ACID | ELI LILLY AND COMPANY (US) | 2000-05-30 | — | — | US | disclosed |