Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | SCN1A | P35498 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22436703 | 1.00 | ALDH1A1 (0.39) | ALDH1A1KDM4ETSHRUSP2MCL1 | |
| SCHEMBL22436698 | 0.85 | ALDH1A1 (0.39) | ALDH1A1KDM4ETSHRUSP2MCL1 | |
| SCHEMBL30679099 | 0.85 | ALDH1A1 (0.39) | ALDH1A1KDM4ETSHRUSP2MCL1 | |
| SCHEMBL22436728 | 0.80 | — | — | |
| SCHEMBL30679120 | 0.79 | ALDH1A1 (0.38) | ALDH1A1KDM4ETSHRUSP2MCL1 | |
| SCHEMBL22436668 | 0.79 | ALDH1A1 (0.38) | ALDH1A1KDM4ETSHRUSP2MCL1 | |
| SCHEMBL22436708 | 0.78 | KDM4E (0.34) | ALDH1A1KDM4E | |
| SCHEMBL22436707 | 0.78 | KDM4E (0.34) | ALDH1A1KDM4E | |
| SCHEMBL22436795 | 0.74 | ALDH1A1 (0.40) | ALDH1A1KDM4ETSHRUSP2MAPK1 | |
| SCHEMBL30679119 | 0.74 | ALDH1A1 (0.40) | ALDH1A1KDM4ETSHRUSP2MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111757884-A | Substituted macrocyclic indole derivatives | 拜耳股份公司 | 2020-10-09 | — | — | CN | disclosed |
| EP-3710451-A1 | SUBSTITUTED MACROCYCLIC INDOLE DERIVATIVES | Bayer Aktiengesellschaft (DE) | 2020-09-23 | — | — | EP | disclosed |