Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.35 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.35 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 3/20 | 0.33 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19615228 | 0.87 | KMT2A (0.36) | ALDH1A1KDM4ECYP2A13ALOX15HTT | |
| SCHEMBL19634925 | 0.83 | LMNA (0.37) | ALDH1A1KDM4ECYP2A13CYP2C9ALOX15 | |
| SCHEMBL19635653 | 0.81 | PIM1 (0.37) | ALDH1A1KDM4EPIM1LMNAGLA | |
| SCHEMBL19635650 | 0.75 | ALDH1A1 (0.37) | ALDH1A1KDM4EPIM1LMNAGLA | |
| SCHEMBL19635542 | 0.74 | LMNA (0.40) | ALDH1A1KDM4EPIM1LMNAGLA | |
| SCHEMBL19634970 | 0.74 | LMNA (0.37) | ALDH1A1KDM4ECYP2A13CYP2C9ALOX15 | |
| SCHEMBL19615281 | 0.69 | LMNA (0.39) | ALDH1A1KDM4EPIM1LMNASMN1; SMN2 | |
| SCHEMBL19616013 | 0.68 | ALDH1A1 (0.38) | ALDH1A1KDM4EPIM1LMNAGLA | |
| SCHEMBL19634969 | 0.64 | PARP1 (0.37) | ALDH1A1KDM4ECYP2A13CYP2C9ALOX15 | |
| SCHEMBL25262333 | 0.63 | KDM4E (0.90) | ALDH1A1KDM4EALOX15HSD17B10GLA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3458459-B1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AG (DE) | 2022-04-27 | — | — | EP | disclosed |
| WO-2017198341-A1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2017-11-23 | — | — | WO | disclosed |