Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 9/20 | 0.44 |
| ▸ | DRD2 | P14416 | 5/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | DRD5 | P21918 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.39 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.39 |
| ▸ | ADCY9 | O60503 | 1/20 | 0.39 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.39 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.39 |
| ▸ | ADCY7 | P51828 | 1/20 | 0.39 |
| ▸ | ADCY2 | Q08462 | 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 | |
|---|---|---|---|---|
| SCHEMBL27365479 | 0.75 | CYP3A4 (0.56) | CYP3A4MEN1CYP2D6KMT2AKIF11 | |
| SCHEMBL28009313 | 0.75 | CYP3A4 (0.56) | CYP3A4MEN1CYP2D6KMT2AKIF11 | |
| SCHEMBL3452689 | 0.72 | TSHR (0.42) | CYP3A4CYP2D6KMT2ALMNATAAR1 | |
| SCHEMBL15096889 | 0.72 | CYP3A4 (1.00) | CYP3A4MEN1CYP2D6KMT2AKIF11 | |
| SCHEMBL1076323 | 0.72 | CYP3A4 (1.00) | CYP3A4MEN1CYP2D6KMT2AKIF11 | |
| SCHEMBL10928947 | 0.68 | MAPK1 (0.61) | CYP3A4MEN1CYP2D6KMT2AKIF11 | |
| SCHEMBL2973279 | 0.67 | CYP3A4 (0.56) | CYP3A4MEN1CYP2D6KMT2AKIF11 | |
| SCHEMBL5322391 | 0.67 | DDB1 (0.47) | SLC18A3SIGMAR1 | |
| SCHEMBL11439416 | 0.66 | KIF11 (0.61) | CYP3A4MEN1CYP2D6KMT2AKIF11 | |
| SCHEMBL9629659 | 0.65 | MEN1 (0.46) | CYP3A4MEN1CYP2D6KMT2AKIF11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900241-B1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2018-08-08 | — | — | EP | disclosed |