Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.49 |
| ▸ | MDM4 | O15151 | 1/20 | 0.47 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GFER | P55789 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28253381 | 0.83 | ESR1 (0.52) | CNR1HPGDPTGS2KDM4EALDH1A1 | |
| SCHEMBL28196964 | 0.78 | MAPT (0.45) | HPGDALDH1A1NPC1LMNAMAPT | |
| SCHEMBL28024124 | 0.75 | ESR1 (0.65) | KIF11MDM4MDM2CNR1HPGD | |
| SCHEMBL28769229 | 0.74 | MAP2 (0.41) | CNR1PTGS2KDM4EALDH1A1MAPT | |
| SCHEMBL28486502 | 0.74 | KIF11 (0.51) | KIF11MDM4MDM2CNR1HPGD | |
| SCHEMBL28906383 | 0.73 | KIF11 (0.54) | KIF11MDM4MDM2CNR1HPGD | |
| SCHEMBL28960401 | 0.73 | MDM4 (0.68) | KIF11MDM4MDM2CNR1HPGD | |
| SCHEMBL28254264 | 0.73 | ESR1 (0.40) | PTGS2KDM4EALDH1A1HSD17B10MAPT | |
| SCHEMBL28254285 | 0.71 | KDM4E (0.50) | CNR1HPGDPTGS2KDM4EALDH1A1 | |
| SCHEMBL28254268 | 0.71 | HTR6 (0.47) | PTGS2CDK4CCND1CAMK2DEGFR |
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-105237458-B | A kind of preparation method of polysubstituted indole derivatives | 上海应用技术学院 | 2018-01-26 | — | — | CN | disclosed |