Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.44 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.40 |
| ▸ | USP2 | O75604 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SPR | P35270 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL17949199 | 1.00 | TSHR (0.48) | TSHRNPC1CYP3A4NR1I2CACNA1B | |
| SCHEMBL17949166 | 1.00 | TSHR (0.48) | TSHRNPC1CYP3A4NR1I2CACNA1B | |
| SCHEMBL29529953 | 1.00 | TSHR (0.48) | TSHRNPC1CYP3A4NR1I2CACNA1B | |
| SCHEMBL17949198 | 1.00 | TSHR (0.48) | TSHRNPC1CYP3A4NR1I2CACNA1B | |
| SCHEMBL29529870 | 1.00 | TSHR (0.48) | TSHRNPC1CYP3A4NR1I2CACNA1B | |
| Trifluoroacetic Acid SCHEMBL29529844 | 0.97 | TSHR (0.47) | TSHRNPC1CYP3A4NR1I2CACNA1B | |
| Trifluoroacetic Acid SCHEMBL17942549 | 0.97 | TSHR (0.47) | TSHRNPC1CYP3A4NR1I2CACNA1B | |
| SCHEMBL17942446 | 0.93 | TSHR (0.52) | TSHRNPC1CYP3A4NR1I2CACNA1B | |
| SCHEMBL29529666 | 0.92 | TSHR (0.47) | TSHRNPC1CYP3A4NR1I2CACNA1B | |
| SCHEMBL17949337 | 0.92 | TSHR (0.47) | TSHRNPC1CYP3A4NR1I2CACNA1B |
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-118164961-A | 4-Methylsulfonyl substituted piperidine urea compounds for the treatment of Dilated Cardiomyopathy (DCM) | 迈奥卡迪亚公司 | 2024-06-11 | — | — | CN | disclosed |
| CN-111393414-B | 4-Methylsulfonyl substituted piperidine urea compounds for the treatment of Dilated Cardiomyopathy (DCM) | 迈奥卡迪亚公司 | 2024-05-07 | — | — | CN | disclosed |