Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | PRKACA | P17612 | 2/20 | 0.36 |
| ▸ | AKT1 | P31749 | 2/20 | 0.36 |
| ▸ | AKT2 | P31751 | 2/20 | 0.36 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.36 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.36 |
| ▸ | LATS1 | O95835 | 1/20 | 0.36 |
| ▸ | PRKACB | P22694 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 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 | |
|---|---|---|---|---|
| SCHEMBL11480119 | 0.87 | MEN1 (0.40) | MEN1KMT2ATSHRMAPK1HIF1A | |
| SCHEMBL11480978 | 0.85 | MEN1 (0.39) | MEN1KMT2ATSHRMAPK1HIF1A | |
| SCHEMBL11480902 | 0.84 | CYP2C9 (0.43) | SMN1; SMN2L3MBTL1CYP17A1CYP3A4 | |
| SCHEMBL11492645 | 0.84 | POLB (0.43) | MEN1KMT2ATSHRMAPK1HIF1A | |
| SCHEMBL11486850 | 0.83 | ALDH1A1 (0.33) | TSHRMAPK1 | |
| SCHEMBL11589282 | 0.83 | CYP17A1 (0.40) | KMT2ACYP19A1CYP17A1CYP3A4LMNA | |
| SCHEMBL11480537 | 0.81 | CYP2A6 (0.43) | — | |
| SCHEMBL29184911 | 0.78 | TSHR (0.43) | MEN1KMT2ATSHRMAPK1HIF1A | |
| SCHEMBL28389399 | 0.77 | PYCR1 (0.41) | MEN1KMT2AMAPK1NPSR1SMN1; SMN2 | |
| SCHEMBL11491244 | 0.77 | MEN1 (0.52) | MEN1KMT2ATSHRMAPK1HIF1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4196215-A | Alkyne compounds and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1980-04-01 | — | — | US | disclosed |
| US-4115456-A | Alkyne compounds and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1978-09-19 | — | — | US | disclosed |