Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.54 |
| ▸ | GAA | P10253 | 10/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.54 |
| ▸ | GLA | P06280 | 7/20 | 0.54 |
| ▸ | HPGD | P15428 | 7/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31355215 | 1.00 | ALDH1A1 (0.54) | ALDH1A1GAAKDM4EGLAHPGD | |
| 3,5-Dichloroanthranilic Acid SCHEMBL951092 | 0.83 | AKR1C4 (0.61) | ALDH1A1GAAKDM4EGLAHPGD | |
| SCHEMBL1807629 | 0.83 | ALDH1A1 (0.59) | ALDH1A1GAAKDM4EGLAHPGD | |
| SCHEMBL29791639 | 0.83 | ALDH1A1 (0.59) | ALDH1A1GAAKDM4EGLAHPGD | |
| 3,5-Dichloroanthranilic Acid SCHEMBL29557172 | 0.83 | AKR1C4 (0.61) | ALDH1A1GAAKDM4EGLAHPGD | |
| SCHEMBL10713936 | 0.82 | ALDH1A1 (0.59) | ALDH1A1GAAKDM4EGLAHPGD | |
| SCHEMBL15014131 | 0.81 | ALDH1A1 (0.53) | ALDH1A1GAAKDM4EGLAHPGD | |
| 3,5-Dichloroanthranilic Acid SCHEMBL28091744 | 0.81 | AKR1C4 (0.59) | ALDH1A1GAAKDM4EGLAHPGD | |
| 3,5-Dichloroanthranilic Acid SCHEMBL11626235 | 0.81 | AKR1C4 (0.59) | ALDH1A1GAAKDM4EGLAHPGD | |
| SCHEMBL11630150 | 0.79 | KDM4E (0.46) | ALDH1A1GAAKDM4EGLAHPGD |
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-117466762-A | Preparation method of 2-amino-3, 5-dichloro-N-methylbenzamide | 沈阳中化农药化工研发有限公司 | 2024-01-30 | — | — | CN | disclosed |
| US-4093734-A | ANTIULCER AGENTS, ANTIEMETICS, ANTICONVULSANTS | BOEHRINGER INGELHEIM GMBH (DT) | 1978-06-06 | — | — | US | disclosed |