Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.39 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 6/20 | 0.38 |
| ▸ | CNR2 | P34972 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9468529 | 0.78 | SMN1; SMN2 (0.43) | CYP3A4TSHRKDM5AKDM4CKDM5B | |
| SCHEMBL25316013 | 0.75 | ALDH1A1 (0.39) | CYP3A4TSHRALDH1A1MEN1KMT2A | |
| SCHEMBL19615268 | 0.75 | NTRK1 (0.38) | KDM4ECNR1CNR2TSHRALDH1A1 | |
| SCHEMBL2519952 | 0.75 | SMN1; SMN2 (0.47) | KDM4ETSHRALDH1A1KMT2AGAA | |
| SCHEMBL31459282 | 0.71 | ALDH1A1 (0.42) | KDM4ETSHRALDH1A1HPGDGAA | |
| SCHEMBL20503314 | 0.70 | LMNA (0.44) | KDM4ECNR2MEN1KMT2AMAPT | |
| SCHEMBL18695261 | 0.70 | TP53 (0.49) | KDM4ECNR1CNR2CYP3A4TSHR | |
| SCHEMBL29834872 | 0.70 | SMN1; SMN2 (0.44) | KDM4ECNR1CNR2ALDH1A1MAPT | |
| SCHEMBL1299 | 0.69 | SMN1; SMN2 (0.45) | TSHRALDH1A1KMT2AMAPTPOLB | |
| SCHEMBL9468599 | 0.68 | KDM5A (0.43) | KDM4ECNR1CNR2CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017198341-A1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2017-11-23 | — | — | WO | disclosed |