Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 5/20 | 0.34 |
| ▸ | TSHR | P16473 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 6/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.32 |
| ▸ | POLB | P06746 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | HTT | P42858 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9770873 | 0.79 | KMT2A (0.33) | ALDH1A1HPGDTSHRMAPTPOLB | |
| SCHEMBL9770953 | 0.75 | HPGD (0.36) | ALDH1A1HPGDMAPTPOLBSMN1; SMN2 | |
| SCHEMBL9770926 | 0.71 | CYP19A1 (0.33) | — | |
| SCHEMBL9770998 | 0.69 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9770923 | 0.65 | CYP19A1 (0.34) | — | |
| SCHEMBL9770973 | 0.62 | PPOX (0.36) | ALDH1A1HPGDMAPTMAPK1POLB | |
| SCHEMBL8598803 | 0.59 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8602421 | 0.57 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9770963 | 0.57 | SLC6A3 (0.34) | ALDH1A1CYP2C9CYP2C19HPGDMAPT | |
| SCHEMBL8602507 | 0.55 | TDP1 (0.34) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 |
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-5039331-A | Condensed heterocyclic derivatives and herbicides | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1991-08-13 | — | — | US | disclosed |
| EP-0304920-A2 | Condensed heterocyclic derivatives, process for their production and herbicides | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1989-03-01 | — | — | EP | disclosed |