Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | ACACA | Q13085 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20220481 | 0.82 | ADORA2B (0.47) | MAPTADORA2BKMT2AMEN1ACACB | |
| SCHEMBL14935892 | 0.81 | MEN1 (0.61) | MAPTTHRBADORA2BKMT2AMEN1 | |
| SCHEMBL20052951 | 0.80 | ADORA2B (0.45) | MAPTADORA2BKMT2AMEN1ACACB | |
| SCHEMBL21548287 | 0.74 | ADORA2B (0.44) | ADORA2BKMT2AMEN1ACACBACACA | |
| SCHEMBL20053003 | 0.72 | ADORA2B (0.54) | ADORA2BKMT2AMEN1ACACBACACA | |
| SCHEMBL20220430 | 0.72 | ADORA2B (0.54) | ADORA2BKMT2AMEN1ACACBACACA | |
| SCHEMBL20651099 | 0.72 | ACACB (0.53) | ADORA2BKMT2AMEN1ACACBACACA | |
| SCHEMBL20651076 | 0.71 | MEN1 (0.55) | MAPTADORA2BKMT2AMEN1ACACB | |
| SCHEMBL14945709 | 0.71 | MEN1 (0.55) | MAPTTHRBADORA2BKMT2AMEN1 | |
| SCHEMBL20651003 | 0.70 | ADORA2B (0.56) | ADORA2BKMT2AMEN1ACACBACACA |
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-9944655-B2 | ACC inhibitors and uses thereof | GILEAD APOLLO, LLC (US) | 2018-04-17 | — | — | US | disclosed |