Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 5/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL19635446 | 0.90 | ADORA3 (0.37) | ALDH1A1HSD17B10MAPTHPGDGAA | |
| SCHEMBL29601953 | 0.77 | TSHR (0.37) | ALDH1A1HSD17B10MAPTHPGDGAA | |
| SCHEMBL19635898 | 0.77 | TSHR (0.37) | ALDH1A1HSD17B10MAPTHPGDGAA | |
| SCHEMBL19635179 | 0.76 | KDM4C (0.34) | MEN1KMT2ANPC1RAB9A | |
| SCHEMBL19635469 | 0.73 | MAPT (0.43) | ALDH1A1HSD17B10MAPTHPGDKMT2A | |
| SCHEMBL19635175 | 0.71 | MAPT (0.46) | ALDH1A1HSD17B10MAPTHPGDTSHR | |
| SCHEMBL19634910 | 0.71 | MAPT (0.46) | ALDH1A1HSD17B10MAPTHPGDTSHR | |
| SCHEMBL19635421 | 0.71 | HSD17B10 (0.42) | ALDH1A1HSD17B10MAPTHPGDGAA | |
| SCHEMBL29602501 | 0.70 | MEN1 (0.38) | ALDH1A1HPGDTSHRCREBBPMEN1 | |
| SCHEMBL19635445 | 0.70 | MEN1 (0.38) | ALDH1A1HPGDTSHRCREBBPMEN1 |
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 |