Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | DUSP3 | P51452 | 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 | |
|---|---|---|---|---|
| SCHEMBL19634979 | 0.83 | KDM4C (0.45) | ALDH1A1TSHRHPGDMAPTLMNA | |
| SCHEMBL19635421 | 0.76 | HSD17B10 (0.42) | ALDH1A1TSHRHPGDMAPTLMNA | |
| SCHEMBL19635175 | 0.76 | MAPT (0.46) | ALDH1A1TSHRHPGDMAPTHSD17B10 | |
| SCHEMBL19635469 | 0.75 | MAPT (0.43) | ALDH1A1HPGDMAPTLMNAHSD17B10 | |
| SCHEMBL19634910 | 0.73 | MAPT (0.46) | ALDH1A1TSHRHPGDMAPTHSD17B10 | |
| SCHEMBL19635530 | 0.71 | MAPT (0.42) | ALDH1A1HPGDMAPTHSD17B10MEN1 | |
| SCHEMBL19634953 | 0.71 | MAPT (0.42) | ALDH1A1HPGDMAPTLMNAHSD17B10 | |
| SCHEMBL19635441 | 0.71 | MAPT (0.44) | ALDH1A1HPGDMAPTHSD17B10MEN1 | |
| SCHEMBL19635172 | 0.71 | MAPT (0.44) | ALDH1A1HPGDMAPTHSD17B10MEN1 | |
| SCHEMBL19635473 | 0.71 | MAPT (0.44) | ALDH1A1TSHRHPGDMAPTHSD17B10 |
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 |