Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | GPR17 | Q13304 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11628567 | 0.93 | GPR17 (0.48) | ALDH1A1POLBMEN1KMT2AGPR17 | |
| SCHEMBL11460035 | 0.88 | ALDH1A1 (0.54) | ALDH1A1POLBMEN1KMT2APKM | |
| SCHEMBL11449025 | 0.87 | TSHR (0.54) | ALDH1A1POLBMEN1KMT2AGPR17 | |
| SCHEMBL11449469 | 0.86 | MAPT (0.53) | ALDH1A1POLBMEN1KMT2AGPR17 | |
| SCHEMBL11663270 | 0.85 | TDP1 (0.54) | ALDH1A1POLBMEN1KMT2AGPR17 | |
| SCHEMBL10783122 | 0.85 | FFAR4 (0.53) | ALDH1A1POLBMEN1KMT2AGPR17 | |
| SCHEMBL11449484 | 0.85 | ALPL (0.56) | ALDH1A1GPR17SMN1; SMN2CYP3A4CYP1A2 | |
| SCHEMBL11449344 | 0.85 | SMN1; SMN2 (0.62) | ALDH1A1POLBMEN1KMT2AGPR17 | |
| SCHEMBL11448513 | 0.85 | GPR17 (0.50) | ALDH1A1POLBMEN1KMT2AGPR17 | |
| SCHEMBL11448629 | 0.84 | SMN1; SMN2 (0.50) | ALDH1A1MEN1KMT2AGPR17PKM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4216161-A | 3,4-Diaminophenyl sulfonic acid esters | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-08-05 | — | — | US | disclosed |
| US-4069325-A | 3-Carbalkoxyamino-1H-2,1,4-benzothiadiazine derivatives | HOECHST AKTIENGESELLSCHAFT (DT) | 1978-01-17 | — | — | US | disclosed |
| US-3996369-A | Anthelmintically active 2-carbalkoxyamino benzimidazolyl-5(6)-sulfonic acid phenyl esters | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-12-07 | — | — | US | disclosed |