Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 5/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19635900 | 0.90 | ALDH1A1 (0.36) | ADORA3MEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL29602501 | 0.78 | MEN1 (0.38) | ADORA3MEN1KMT2AKDM4CALDH1A1 | |
| SCHEMBL19635445 | 0.78 | MEN1 (0.38) | ADORA3MEN1KMT2AKDM4CALDH1A1 | |
| SCHEMBL14061234 | 0.77 | KDM4C (0.40) | ADORA3MEN1KMT2AKDM4CNPC1 | |
| SCHEMBL19635447 | 0.76 | KDM4C (0.43) | MEN1KMT2AKDM4CNPC1RAB9A | |
| SCHEMBL19635172 | 0.74 | MAPT (0.44) | MEN1KMT2AALDH1A1HSD17B10MAPT | |
| SCHEMBL19635441 | 0.74 | MAPT (0.44) | MEN1KMT2AALDH1A1HSD17B10MAPT | |
| SCHEMBL1809242 | 0.72 | NPC1 (0.42) | ADORA3MEN1KMT2AKDM4CALDH1A1 | |
| SCHEMBL24524644 | 0.72 | MEN1 (0.38) | ADORA3MEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL19635605 | 0.71 | ALDH1A1 (0.43) | KMT2AALDH1A1RAB9AHSD17B10L3MBTL1 |
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 |