Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | ACLY | P53396 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.44 |
| ▸ | PIK3C2G | O75747 | 1/20 | 0.44 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL13976075 | 0.86 | ACLY (0.53) | KDM4ETSHRPTK2BKMT2AAKR1C3 | |
| SCHEMBL24139986 | 0.85 | KDM4E (0.48) | KDM4ETSHRPTK2BKMT2AMAPT | |
| SCHEMBL16020314 | 0.85 | KDM4E (0.55) | KDM4ETSHRPTK2BKMT2AMAPT | |
| SCHEMBL16017553 | 0.82 | KDM4E (0.52) | KDM4ETSHRPTK2BKMT2AMAPT | |
| SCHEMBL18136984 | 0.82 | KDM4E (0.52) | KDM4ETSHRPTK2BKMT2AMAPT | |
| SCHEMBL24140000 | 0.79 | AKR1C3 (0.56) | KDM4ETSHRPTK2BKMT2AMAPT | |
| SCHEMBL19558829 | 0.78 | ACLY (0.51) | KDM4ETSHRPTK2BKMT2AAKR1C3 | |
| SCHEMBL13975447 | 0.77 | SLC40A1 (0.55) | KMT2AACLYMEN1ALDH1A1 | |
| SCHEMBL16235212 | 0.73 | SLC40A1 (0.58) | KDM4ETSHRPTK2BKMT2AACLY | |
| SCHEMBL18136822 | 0.73 | CASP3 (0.49) | KDM4ETSHRPTK2BKMT2AMAPT |
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-9808466-B2 | Macrocyclic compounds as protein kinase inhibitors | FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III | 2017-11-07 | — | — | US | disclosed |