Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28095680 | 0.88 | PKM (0.43) | ALOX5SMN1; SMN2LMNAALDH1A1HPGD | |
| SCHEMBL28096025 | 0.80 | SLC6A3 (0.41) | SLC6A3ALOX5SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL5520602 | 0.75 | FPR2 (0.36) | SLC6A3ALOX5SMN1; SMN2CYP2C9LMNA | |
| SCHEMBL5520599 | 0.75 | FPR2 (0.36) | SLC6A3ALOX5SMN1; SMN2CYP2C9LMNA | |
| Formaldehyde SCHEMBL28096113 | 0.74 | SLC6A3 (0.41) | SLC6A3LMNAMEN1KMT2ACNR1 | |
| SCHEMBL6821962 | 0.69 | TSHR (0.53) | SLC6A3NPC1RAB9ACES2CES1 | |
| SCHEMBL27482821 | 0.67 | POLB (0.45) | ALOX5SMN1; SMN2CYP2C9LMNAALDH1A1 | |
| SCHEMBL5166330 | 0.66 | CYP2C19 (0.49) | ALOX5SMN1; SMN2CYP2C9LMNAALDH1A1 | |
| SCHEMBL29290745 | 0.66 | POLB (0.47) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL27514420 | 0.66 | ALOX5 (0.53) | ALOX5SMN1; SMN2CYP2C9LMNAALDH1A1 |
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-105924425-B | A kind of method for preparing dihydro sulphur chroman derivative | 浙江师范大学 | 2018-06-05 | — | — | CN | disclosed |
| CN-105924425-A | Preparation method of dihydrothiochroman derivative | 浙江师范大学 | 2016-09-07 | — | — | CN | disclosed |