Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CTSA | P10619 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | DUT | P33316 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27643007 | 0.82 | GPR139 (0.46) | ACHE | |
| SCHEMBL30806732 | 0.80 | CYP2C9 (0.56) | CYP2C9CYP17A1CYP2C19CTSAALDH1A1 | |
| SCHEMBL28675009 | 0.80 | CACNA1B (0.53) | LMNAALDH1A1KDM4ESMN1; SMN2FAAH | |
| SCHEMBL12869064 | 0.79 | KDM4E (0.53) | CYP2C9CYP17A1CYP2C19CTSALMNA | |
| SCHEMBL3077103 | 0.79 | CES2 (0.50) | LMNASMN1; SMN2MEN1KMT2AHTT | |
| Trifluoroacetic Acid SCHEMBL30117104 | 0.77 | CTSA (0.45) | CYP2C9CYP17A1CYP2C19CTSALMNA | |
| SCHEMBL4550352 | 0.77 | CYP2C9 (0.49) | CYP2C9CYP17A1CYP2C19CTSAALDH1A1 | |
| SCHEMBL21288053 | 0.77 | CYP2C9 (0.49) | CYP2C9CYP17A1CYP2C19CTSAALDH1A1 | |
| SCHEMBL28822313 | 0.77 | CYP2C9 (0.49) | CYP2C9CYP17A1CYP2C19CTSAALDH1A1 | |
| SCHEMBL16957784 | 0.77 | CYP2C9 (0.49) | CYP2C9CYP17A1CYP2C19CTSAALDH1A1 |
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-104011021-B | heterocyclic derivatives and their use as prostaglandin D2 receptor modulators | 埃科特莱茵药品有限公司 | 2016-08-24 | — | — | CN | disclosed |