Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.48 |
| ▸ | CCR2 | P41597 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | ACLY | P53396 | 2/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.43 |
| ▸ | PIK3C2G | O75747 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL18136822 | 0.88 | CASP3 (0.49) | KDM4ETSHRPTK2BCCR2KMT2A | |
| SCHEMBL24139845 | 0.88 | ACLY (0.54) | KDM4ETSHRPTK2BCCR2KMT2A | |
| SCHEMBL24139986 | 0.88 | KDM4E (0.48) | KDM4ETSHRPTK2BCCR2KMT2A | |
| SCHEMBL16017555 | 0.86 | KDM4E (0.47) | KDM4ETSHRPTK2BCCR2KMT2A | |
| SCHEMBL16020322 | 0.86 | KDM4E (0.47) | KDM4ETSHRPTK2BCCR2KMT2A | |
| SCHEMBL24139843 | 0.80 | SLC40A1 (0.57) | KDM4EKMT2AACLYALDH1A1MEN1 | |
| SCHEMBL13976075 | 0.78 | ACLY (0.53) | KDM4ETSHRPTK2BCCR2KMT2A | |
| SCHEMBL24139956 | 0.77 | PIK3CG (0.49) | KDM4EKMT2AACLYALDH1A1MEN1 | |
| SCHEMBL19558829 | 0.76 | ACLY (0.51) | KDM4ETSHRPTK2BCCR2KMT2A | |
| SCHEMBL13975439 | 0.76 | ACLY (0.55) | KDM4ETSHRPTK2BCCR2KMT2A |
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 |