Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 7/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11404303 | 0.87 | SLC6A2 (0.34) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL22408985 | 0.75 | MAPK1 (0.38) | ALDH1A1GAACYP1A2CYP2C9MAPK1 | |
| SCHEMBL9830957 | 0.72 | MAPK1 (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1 | |
| SCHEMBL4958805 | 0.72 | CYP1A2 (0.38) | ALDH1A1GAAMAPTCYP1A2CYP2C9 | |
| SCHEMBL7801192 | 0.70 | MAPK1 (0.35) | ALDH1A1CYP1A2CYP2C9MAPK1LMNA | |
| SCHEMBL11404297 | 0.69 | POLB (0.42) | ALDH1A1GAAMAPTCYP1A2CYP2C9 | |
| SCHEMBL28250415 | 0.69 | MAPK1 (0.40) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 | |
| Nimorazole SCHEMBL21836 | 0.69 | KMT2A (0.45) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| Nimorazole SCHEMBL2557042 | 0.68 | ALDH1A1 (0.39) | ALDH1A1GAAMAPTCYP2C19POLB | |
| SCHEMBL11411750 | 0.68 | MAPK1 (0.36) | ALDH1A1MAPK1LMNASMN1; SMN2 |
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-4218449-A | NITROIMIDAZOLE COMPOUNDS | Simoons, John R. A. (US) | 1980-08-19 | — | — | US | disclosed |
| US-4183941-A | Treatment of rheumatoid arthritis and related diseases | Simoons, John R. A. (US) | 1980-01-15 | — | — | US | disclosed |