Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 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 | |
|---|---|---|---|---|
| SCHEMBL11617223 | 0.83 | LMNA (0.48) | LMNAALDH1A1MAPK1THRBTSHR | |
| SCHEMBL8538434 | 0.82 | LMNA (0.44) | LMNAALDH1A1MAPK1THRBTSHR | |
| SCHEMBL16324628 | 0.81 | LMNA (0.43) | LMNAALDH1A1MAPK1THRBTSHR | |
| SCHEMBL11616375 | 0.79 | LMNA (0.47) | LMNAALDH1A1MAPK1THRBTSHR | |
| SCHEMBL15177300 | 0.78 | LMNA (0.41) | LMNAALDH1A1MAPK1THRBTSHR | |
| SCHEMBL14626532 | 0.77 | LMNA (0.43) | LMNAALDH1A1MAPK1THRBTSHR | |
| Ammonia Solution, Strong SCHEMBL29200990 | 0.77 | LMNA (0.43) | LMNAALDH1A1MAPK1THRBTSHR | |
| SCHEMBL11477968 | 0.77 | LMNA (0.43) | LMNAALDH1A1MAPK1THRBTSHR | |
| SCHEMBL11477962 | 0.77 | LMNA (0.43) | LMNAALDH1A1MAPK1THRBTSHR | |
| SCHEMBL16364090 | 0.76 | NPC1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4080340-A | Nitroimidazoles | MERCK & CO., INC. (US) | 1978-03-21 | — | — | US | disclosed |
| US-4010176-A | Isoxazole substituted nitroimidazoles | MERCK & CO., INC. (US) | 1977-03-01 | — | — | US | disclosed |