Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.51 |
| ▸ | PPARA | Q07869 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL26115378 | 0.86 | LMNA (0.49) | CYP1A2CYP3A4TSHRSMN1; SMN2MEN1 | |
| SCHEMBL6386952 | 0.86 | TSHR (0.53) | CYP1A2CYP3A4TSHRABCB11HTR2A | |
| SCHEMBL24130014 | 0.85 | SCN5A (0.52) | CYP1A2CYP3A4TSHRABCB11HTR2A | |
| SCHEMBL30272585 | 0.85 | SCN5A (0.52) | CYP1A2CYP3A4TSHRABCB11HTR2A | |
| SCHEMBL9516972 | 0.85 | PIN1 (0.50) | TSHRSMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL14510428 | 0.85 | PIN1 (0.50) | TSHRSMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL14510421 | 0.81 | TSHR (0.48) | CYP1A2CYP3A4TSHRABCB11HTR2A | |
| Chlorobenzilate SCHEMBL73255 | 0.80 | MEN1 (0.60) | CYP1A2CYP3A4TSHRABCB11HTR2A | |
| SCHEMBL10817757 | 0.80 | TSHR (0.57) | CYP1A2CYP3A4TSHRABCB11HTR2A | |
| Chlorobenzilate SCHEMBL28048828 | 0.80 | MEN1 (0.60) | CYP1A2CYP3A4TSHRABCB11HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-4168395-A1 | DIHYDROOXAZOLE AND THIOUREA OR UREA DERIVATIVES MODULATING THE NLRP3 INFLAMMASOME PATHWAY | AC Immune SA (CH) | 2023-04-26 | — | — | EP | disclosed |
| CN-115768754-A | Dihydrooxazole and thiourea or urea derivatives that modulate NLRP3 inflammasome pathways | AC免疫有限公司 | 2023-03-07 | — | — | CN | disclosed |