Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.56 |
| ▸ | ACLY | P53396 | 3/20 | 0.53 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TCF4 | P15884 | 2/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16020309 | 0.93 | ALDH1A1 (0.53) | SLC40A1ACLYALDH1A1MEN1KMT2A | |
| SCHEMBL24137459 | 0.90 | SLC40A1 (0.45) | SLC40A1ACLYALDH1A1MEN1KMT2A | |
| SCHEMBL13976112 | 0.87 | SLC40A1 (0.58) | SLC40A1ACLYBRD4ALDH1A1MEN1 | |
| SCHEMBL24139843 | 0.86 | SLC40A1 (0.57) | SLC40A1ACLYBRD4ALDH1A1MEN1 | |
| SCHEMBL24139910 | 0.84 | ALDH1A1 (0.52) | SLC40A1ACLYALDH1A1MEN1KMT2A | |
| SCHEMBL13975447 | 0.84 | SLC40A1 (0.55) | SLC40A1ACLYBRD4ALDH1A1MEN1 | |
| SCHEMBL13975453 | 0.84 | SLC40A1 (0.55) | SLC40A1ACLYBRD4ALDH1A1MEN1 | |
| SCHEMBL16020322 | 0.81 | KDM4E (0.47) | SLC40A1ACLYBRD4ALDH1A1MEN1 | |
| SCHEMBL24139833 | 0.79 | SLC40A1 (0.41) | SLC40A1ACLYBRD4ALDH1A1MEN1 | |
| SCHEMBL16020338 | 0.79 | KMT2A (0.53) | ALDH1A1MEN1KMT2AMETAP2CYP2C9 |
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-2710018-B1 | MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS | FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) | 2021-12-29 | — | — | EP | disclosed |