Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.37 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.36 |
| ▸ | TYMP | P19971 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL19634954 | 0.85 | KDM4E (0.41) | PARP1ALDH1A1KDM4EALOX15HSD17B10 | |
| SCHEMBL19635183 | 0.71 | ALDH1A1 (0.45) | ALDH1A1KDM4EALOX15HSD17B10TSHR | |
| SCHEMBL9906854 | 0.70 | JAK2 (0.55) | PARP1HRH3NPC1JAK2 | |
| SCHEMBL19634970 | 0.69 | LMNA (0.37) | CYP2A13ALDH1A1KDM4EALOX15HSD17B10 | |
| SCHEMBL11971273 | 0.66 | HSD17B10 (0.46) | PARP1CYP2A13ALDH1A1HSD17B10NPC1 | |
| SCHEMBL14338764 | 0.66 | HSD17B10 (0.52) | PARP1CYP2A13ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL9034922 | 0.66 | TYMP (0.41) | PARP1CYP2A13TYMPALDH1A1ALOX15 | |
| SCHEMBL19634925 | 0.66 | LMNA (0.37) | CYP2A13ALDH1A1KDM4EALOX15HSD17B10 | |
| SCHEMBL19635864 | 0.65 | L3MBTL1 (0.46) | ALDH1A1KDM4EALOX15HSD17B10TSHR | |
| SCHEMBL19635404 | 0.64 | ALDH1A1 (0.40) | CYP2A13ALDH1A1KDM4EALOX15HSD17B10 |
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 |