Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.62 |
| ▸ | CNR2 | P34972 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | FLT3 | P36888 | 1/20 | 0.48 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | ITK | Q08881 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL154687 | 0.83 | LMNA (0.49) | CNR1CNR2ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL581787 | 0.82 | AR (0.70) | CYP3A4CYP2C9TSHRCYP2C19PARP1 | |
| SCHEMBL248215 | 0.82 | PARP1 (0.64) | ALDH1A1CYP3A4CYP2C9MEN1KMT2A | |
| SCHEMBL30801304 | 0.82 | PARP1 (0.64) | ALDH1A1CYP3A4CYP2C9MEN1KMT2A | |
| SCHEMBL693552 | 0.80 | PARP1 (0.52) | ALDH1A1CYP3A4MAPK8MAPK10PARP1 | |
| SCHEMBL4488379 | 0.80 | PARP1 (0.52) | CNR1CNR2ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL29851372 | 0.79 | CNR1 (0.55) | CNR1CNR2ALDH1A1CDK2FLT3 | |
| SCHEMBL3091127 | 0.77 | ALDH1A1 (0.44) | CNR1CNR2ALDH1A1LTA4HKDR | |
| SCHEMBL694505 | 0.76 | PARP1 (0.45) | KDRCYP3A4PARP1ARITK | |
| SCHEMBL28116839 | 0.76 | MAPK10 (0.46) | CYP3A4MAPK10PARP1ARMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105980364-A | Bicyclic heteroaryl indole analogs useful as ROR γ modulators | 格兰马克药品股份有限公司 | 2016-09-28 | — | — | CN | disclosed |