Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11404453 | 1.00 | CES2 (0.42) | CES2CES1HSD11B1ALDH1A1KDM4E | |
| SCHEMBL21122243 | 0.89 | SMN1; SMN2 (0.44) | ALDH1A1KDM4EMAPTKMT2AATM | |
| Cyclohexane SCHEMBL8108017 | 0.87 | KDM4E (0.48) | CES2CES1ALDH1A1KDM4EMAPT | |
| SCHEMBL11304298 | 0.86 | KDM4E (0.38) | CES2CES1HSD11B1ALDH1A1KDM4E | |
| SCHEMBL11304313 | 0.86 | KDM4E (0.38) | CES2CES1HSD11B1ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL28149602 | 0.84 | KDM4E (0.36) | CES2CES1HSD11B1ALDH1A1KDM4E | |
| SCHEMBL25485911 | 0.84 | CES2 (0.58) | CES2CES1HSD11B1ALDH1A1KDM4E | |
| Cyclohexane Carboxamide SCHEMBL26181 | 0.84 | — | — | |
| SCHEMBL217428 | 0.84 | CES2 (0.58) | CES2CES1HSD11B1ALDH1A1KDM4E | |
| SCHEMBL218387 | 0.84 | CES2 (0.58) | CES2CES1HSD11B1ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4181625-A | CARBONITRILES, DIELECTRICS | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1980-01-01 | — | — | US | disclosed |